COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION
FULL DB
Total number of items: 1633432
Total number of pages: 1634 ( 1000 items on each page )
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STK555214
Synonyms: ethyl(2Z)-2-{[(2,4-dichlorophenyl)carbonyl]imino}-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Smiles: COCCCn1/c(=N\C(=O)c2ccc(cc2Cl)Cl)/c(cc2c1nc1c(C)cccn1c2=O)C(=O)OCC
STK555217
Synonyms: 2-imino-5-oxo-1-[3-(propan-2-yloxy)propyl]-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Smiles: N#Cc1cc2c(n(c1=N)CCCOC(C)C)nc1n(c2=O)cccc1
STK555226
Synonyms: 3-(4-ethoxyphenyl)-6-(furan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nnc2n1nc(s2)c1ccco1
STK555229
Synonyms: 3-[(1-ethylpyrrolidin-2-yl)methyl]-8-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: CCN1CCCC1Cn1cnc2c(c1=O)[nH]c1c2cc(cc1)OC
STK555234
Synonyms: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-[(4-fluorobenzyl)oxy]-2-methyl-4H-chromen-4-one
Smiles: CCc1cc2c(cc1OCc1ccc(cc1)F)oc(c(c2=O)c1ccc2c(c1)OCCO2)C
STK845015
Synonyms: N~1~-[(E)-(4-methylphenyl)methylidene]-1H-tetrazole-1,5-diamine
Smiles: Cc1ccc(cc1)/C=N/n1nnnc1N
STK555235
Synonyms: diethyl[(benzylamino)(2-fluorophenyl)methyl]phosphonate
Smiles: CCOP(=O)(C(c1ccccc1F)NCc1ccccc1)OCC
STK845016
Synonyms: 5-(1,3-benzodioxol-5-ylmethyl)-1,3-dimethyl-5-[2-(pyridin-4-yl)ethyl]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1N(C)C(=O)C(C(=O)N1C)(CCc1ccncc1)Cc1ccc2c(c1)OCO2
STK555242
Synonyms: N-(3-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine
Smiles: CCN1CCN(CC1)c1nc(Nc2cccc(c2)Cl)c(c(n1)N)[N+](=O)[O-]
STK845018
Synonyms: methyl4-({[5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Smiles: C=CCn1c(SCc2ccc(cc2)C(=O)OC)nnc1c1sc(nc1C)N
STK555245
Synonyms: 3-[3-(dimethylamino)propyl]-8,8-dimethyl-2-propyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Smiles: CCCc1nc2c3cc4COC(Cc4nc3sc2c(=O)n1CCCN(C)C)(C)C
STK845019
Synonyms: (2E)-2-(1,3-benzoxazol-2-yl)-3-(6-bromo-4H-1,3-benzodioxin-8-yl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cc(Br)cc2c1OCOC2)/c1nc2c(o1)cccc2
STK555249
Synonyms: N~4~-(3-chlorophenyl)-N~2~-(4-chlorophenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: Clc1ccc(cc1)Nc1nc(N)c(c(n1)Nc1cccc(c1)Cl)[N+](=O)[O-]
STK555253
Synonyms: 6-[(2E)-2-(3,4-dimethoxybenzylidene)hydrazinyl]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
Smiles: COc1ccc(cc1OC)/C=N/Nc1cc(=O)n(c(=O)n1C)C
STK555256
Synonyms: ethyl2-imino-10-methyl-1-(2-methylpropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Smiles: CCOC(=O)c1cc2c(n(c1=N)CC(C)C)nc1n(c2=O)cccc1C
STK555262
Synonyms: N-(3,4-dimethylphenyl)-2-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine
Smiles: CC1CC(C)CN(C1)c1nc(Nc2ccc(c(c2)C)C)c(c(n1)N)[N+](=O)[O-]
STK555264
Synonyms: N~2~-(3,4-dimethylphenyl)-N~4~-(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: Fc1cccc(c1)Nc1nc(Nc2ccc(c(c2)C)C)nc(c1[N+](=O)[O-])N
STK555265
Synonyms: (6E)-6-({1-[3-(3,5-dimethylphenoxy)propyl]-1H-indol-3-yl}methylidene)-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Cc1cc(OCCCn2cc(c3c2cccc3)/C=C\2/C(=O)N=c3n(C2=N)nc(s3)c2cccnc2)cc(c1)C
STK845023
Synonyms: N~2~-benzyl-N~4~-(2-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: COc1ccccc1Nc1nc(NCc2ccccc2)nc(c1[N+](=O)[O-])N
STK555266
Synonyms: 2-[4-(butylamino)quinazolin-2-yl]phenol
Smiles: CCCCNc1nc(nc2c1cccc2)c1ccccc1O
STK845024
Synonyms: 2-(4-benzylpiperazin-1-yl)-N-cyclohexyl-5-nitropyrimidine-4,6-diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1NC1CCCCC1)N1CCN(CC1)Cc1ccccc1
STK555267
Synonyms: 6-(4-methylpiperazin-1-yl)-N~2~-[3-(morpholin-4-yl)propyl]-5-nitropyrimidine-2,4-diamine
Smiles: CN1CCN(CC1)c1nc(NCCCN2CCOCC2)nc(c1[N+](=O)[O-])N
STK845025
Synonyms: 8-nitro-2,2-bis(trifluoromethyl)-2,3-dihydro-4H-[1,3,5]triazino[2,1-b][1,3]benzothiazol-4-one
Smiles: [O-][N+](=O)c1ccc2c(c1)sc1=NC(NC(=O)n21)(C(F)(F)F)C(F)(F)F
STK555272
Synonyms: 8-{[2-(diethylamino)ethyl]amino}-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCN(CCNc1nc2c(n1CC(COc1ccccc1C)O)c(=O)n(c(=O)n2C)C)CC
STK845030
Synonyms: N-cyclohexyl-5-nitro-2-(piperidin-1-yl)pyrimidine-4,6-diamine
Smiles: [O-][N+](=O)c1c(NC2CCCCC2)nc(nc1N)N1CCCCC1
STK555288
Synonyms: 4-chloro-N-[(2E)-3-cyano-10-methyl-1-(2-methylpropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]benzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccc(cc1)Cl)CC(C)C)nc1n(c2=O)cccc1C
STK555291
Synonyms: 6-phenyl-3-(pyridin-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: c1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccccn1
STK555292
Synonyms: ethyl(2Z)-1-(3-methoxypropyl)-10-methyl-2-{[(3-nitrophenyl)carbonyl]imino}-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Smiles: COCCCn1/c(=N\C(=O)c2cccc(c2)[N+](=O)[O-])/c(cc2c1nc1c(C)cccn1c2=O)C(=O)OCC
STK555294
Synonyms: N-[(2E)-1-butyl-3-cyano-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-3-nitrobenzamide
Smiles: CCCCn1/c(=N/C(=O)c2cccc(c2)[N+](=O)[O-])/c(C#N)cc2c1nc1c(C)cccn1c2=O
STK845032
Synonyms: 2-(4-benzylpiperazin-1-yl)-5-nitro-6-(piperidin-1-yl)pyrimidin-4-amine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCCC1)N1CCN(CC1)Cc1ccccc1
STK555297
Synonyms: N-cyclopentyl-2-(pyridin-2-yl)quinazolin-4-amine
Smiles: C1CCC(C1)Nc1nc(nc2c1cccc2)c1ccccn1
STK555299
Synonyms: ethyl5-chloro-3-{[(4-methyl-1,2,5-oxadiazol-3-yl)carbonyl]amino}-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1nonc1C)cc(cc2)Cl
STK555300
Synonyms: N-[(2E)-3-cyano-1-(furan-2-ylmethyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-4-nitrobenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccc(cc1)[N+](=O)[O-])Cc1ccco1)nc1n(c2=O)cccc1C
STK555309
Synonyms: N'-[(E)-(2,4-dihydroxyphenyl)methylidene]-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
Smiles: O=C(Cn1nccc1C)N/N=C/c1ccc(cc1O)O
STK555310
Synonyms: 3-(prop-2-yn-1-yloxy)-2-(prop-2-yn-1-ylsulfanyl)quinazolin-4(3H)-one
Smiles: C#CCSc1nc2ccccc2c(=O)n1OCC#C
STK555312
Synonyms: 2-[(4-fluorophenoxy)methyl]-5-[(1-phenylethyl)amino]-1,3-oxazole-4-carbonitrile
Smiles: N#Cc1nc(oc1NC(c1ccccc1)C)COc1ccc(cc1)F
STK845034
Synonyms: 6-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccc(cc1)OC
STK555316
Synonyms: N-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine
Smiles: CC1CC(C)CN(C1)c1nc(NC2CCCCC2)c(c(n1)N)[N+](=O)[O-]
STK555321
Synonyms: 9-(2,4-dimethoxyphenyl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8(9H)-one
Smiles: COc1cc(OC)ccc1n1cnc2c(c1=O)sc1c2c2CCCCc2c(n1)N1CCOCC1
STK555324
Synonyms: N,N-diethyl-4-[3-(2-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
Smiles: CCN(c1ccc(cc1)c1nn2c(s1)nnc2c1ccccc1OC)CC
STK555327
Synonyms: 5-(3-chloro-2-methylphenyl)-3-(4-ethylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCc1ccc(cc1)C1N(OC2C1C(=O)N(C2=O)c1cccc(c1C)Cl)c1ccccc1
STK555334
Synonyms: 2-{[6-ethyl-6-methyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Smiles: CCCSc1nc(SCC(=O)N)c2c(n1)sc1c2CC(OC1)(C)CC
STK555345
Synonyms: N-(tetrahydro-2H-pyran-4-yl)-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide
Smiles: O=C(N1c2ccccc2CCc2c1cccc2)NC1CCOCC1
STK555347
Synonyms: N-[(2E)-3-cyano-10-methyl-1-(2-methylpropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-2-fluorobenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccccc1F)CC(C)C)nc1n(c2=O)cccc1C
STK845039
Synonyms: N~4~-(3-chlorophenyl)-N~2~-(2-methoxyethyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: COCCNc1nc(Nc2cccc(c2)Cl)c(c(n1)N)[N+](=O)[O-]
STK555353
Synonyms: methyl2-[(4aR,4bS,7aR,8S)-8-[(3,4-dimethoxyphenyl)carbonyl]-5,7-dioxo-4b,5,7a,8-tetrahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-6(7H)-yl]benzoate
Smiles: COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=CC=N1)C(=O)c1ccc(c(c1)OC)OC
STK845040
Synonyms: (2E)-2-(1-methyl-1H-benzimidazol-2-yl)-3-[(4-methylphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)C)/c1nc2c(n1C)cccc2
STK845041
Synonyms: (2E)-2-(1,3-benzothiazol-2-yl)-3-(6-bromo-4H-1,3-benzodioxin-8-yl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cc(Br)cc2c1OCOC2)/c1nc2c(s1)cccc2
STK555359
Synonyms: 2-[9-(propan-2-yl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]phenol
Smiles: CC(N1CCc2c(C1)sc1c2c2nc(nn2cn1)c1ccccc1O)C
STK555361
Synonyms: 7-(4-chlorobenzyl)-8-{[2-(dimethylamino)ethyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CN(CCNc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C)C
STK845042
Synonyms: 2-[(4-methoxyphenoxy)methyl]-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
Smiles: COc1ccc(cc1)OCc1oc(c(n1)C#N)N1CCN(CC1)c1ccc(cc1)OC
STK555368
Synonyms: 2-(4-benzylpiperidin-1-yl)-N-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine
Smiles: Fc1cccc(c1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCC(CC1)Cc1ccccc1
STK845043
Synonyms: 2-(4-benzylpiperazin-1-yl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-4-amine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCC1)N1CCN(CC1)Cc1ccccc1
STK555371
Synonyms: 2-[(3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3
STK555373
Synonyms: N-[(2E)-3-cyano-10-methyl-1-(2-methylpropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-4-methoxybenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccc(cc1)OC)CC(C)C)nc1n(c2=O)cccc1C
STK555374
Synonyms: 2-imino-10-methyl-1-(2-methylpropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Smiles: N#Cc1cc2c(n(c1=N)CC(C)C)nc1n(c2=O)cccc1C
STK555378
Synonyms: 5-(2,6-dichlorophenyl)-2-phenyl-3-propyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCCC1N(OC2C1C(=O)N(C2=O)c1c(Cl)cccc1Cl)c1ccccc1
STK555380
Synonyms: 3-chloro-N-[(2E)-3-cyano-10-methyl-1-(2-methylpropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]benzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1cccc(c1)Cl)CC(C)C)nc1n(c2=O)cccc1C
STK555385
Synonyms: 4,7,7-trimethyl-3-oxo-N'-(phenylacetyl)-2-oxabicyclo[2.2.1]heptane-1-carbohydrazide
Smiles: O=C(Cc1ccccc1)NNC(=O)C12CCC(C2(C)C)(C(=O)O1)C
STK845046
Synonyms: N~4~-(3-fluorophenyl)-N~2~-methyl-5-nitropyrimidine-2,4,6-triamine
Smiles: CNc1nc(Nc2cccc(c2)F)c(c(n1)N)[N+](=O)[O-]
STK555388
Synonyms: N-[(2E)-3-cyano-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-4-fluorobenzamide
Smiles: COCCCn1/c(=N/C(=O)c2ccc(cc2)F)/c(C#N)cc2c1nc1c(C)cccn1c2=O
STK555389
Synonyms: (2Z)-6-[(2-chloro-6-fluorobenzyl)oxy]-2-(2,4-dimethoxybenzylidene)-1-benzofuran-3(2H)-one
Smiles: COc1ccc(c(c1)OC)/C=C/1\Oc2c(C1=O)ccc(c2)OCc1c(F)cccc1Cl
STK555390
Synonyms: 2-(4-benzylpiperazin-1-yl)-6-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCC(CC1)Cc1ccccc1)N1CCN(CC1)Cc1ccccc1
STK845047
Synonyms: 2-[(4-chlorophenoxy)methyl]-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
Smiles: N#Cc1nc(oc1N1CCN(CC1)c1ccc(cc1)OC)COc1ccc(cc1)Cl
STK555391
Synonyms: 2-[2-(benzyloxy)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-2-carbonitrile
Smiles: N#CC1(CCC(=O)N1c1ccc(cc1)C)c1ccccc1OCc1ccccc1
STK555394
Synonyms: 2-(benzylsulfanyl)-4-(pyrrolidin-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
Smiles: c1ccc(cc1)CSc1nc2sc3c(c2c(n1)N1CCCC1)CCCC3
STK555395
Synonyms: 2-{2-ethoxy-4-[(E)-(2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazinylidene)methyl]phenoxy}acetamide
Smiles: CCOc1cc(/C=N/NC(=O)CSc2nncn2C)ccc1OCC(=O)N
STL036497
Synonyms: 6-(4-ethoxyphenyl)-3-(pyridin-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)C1=Nn2c(SC1)nnc2c1cccnc1
STK555397
Synonyms: 2-bromo-N-[(2E)-3-cyano-10-methyl-1-(2-methylpropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]benzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccccc1Br)CC(C)C)nc1n(c2=O)cccc1C
STK555398
Synonyms: N-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine
Smiles: CN1CCN(CC1)c1nc(Nc2cccc(c2)F)c(c(n1)N)[N+](=O)[O-]
STK555399
Synonyms: 6-ethyl-4-(ethylsulfanyl)-6-methyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CCCSc1nc(SCC)c2c(n1)sc1c2CC(OC1)(C)CC
STK555401
Synonyms: 2-bromo-N-[(2E)-3-cyano-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]benzamide
Smiles: COCCCn1/c(=N/C(=O)c2ccccc2Br)/c(C#N)cc2c1nc1c(C)cccn1c2=O
STK555404
Synonyms: 7-methoxy-4-(thiomorpholin-4-yl)-5H-pyrimido[5,4-b]indole
Smiles: COc1ccc2c(c1)[nH]c1c2ncnc1N1CCSCC1
STK555405
Synonyms: N-(3,4-dimethylphenyl)-2-(4-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine
Smiles: CC1CCN(CC1)c1nc(Nc2ccc(c(c2)C)C)c(c(n1)N)[N+](=O)[O-]
STK555410
Synonyms: 7-methoxy-3-[3-(morpholin-4-yl)propyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)CCCN1CCOCC1
STK555411
Synonyms: N~2~-(3-aminopropyl)-N~4~-(furan-2-ylmethyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: NCCCNc1nc(NCc2ccco2)c(c(n1)N)[N+](=O)[O-]
STK845050
Synonyms: 1,3-dimethyl-8-[(4-methylbenzyl)amino]-7-propyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCn1c(NCc2ccc(cc2)C)nc2c1c(=O)n(c(=O)n2C)C
STK555417
Synonyms: 2-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)-5-nitropyrimidine-4,6-diamine
Smiles: Fc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCC(CC1)Cc1ccccc1
STK555423
Synonyms: 4-bromo-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol
Smiles: Brc1ccc(c(c1)c1n[nH]c(c1)c1ccccc1F)O
STK555424
Synonyms: N-[(2E)-1-butyl-3-cyano-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-2,4-dichlorobenzamide
Smiles: CCCCn1/c(=N/C(=O)c2ccc(cc2Cl)Cl)/c(C#N)cc2c1nc1c(C)cccn1c2=O
STK555426
Synonyms: 6-tert-butyl-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: COc1ccccc1c1nnc2n1N=C(CS2)C(C)(C)C
STK555428
Synonyms: 3-ethyl-8,8-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Smiles: CCn1c(SCC(=O)c2ccccc2)nc2c(c1=O)cc1c(n2)CC(OC1)(C)C
STK555432
Synonyms: 4-{3-[hydroxy(phenyl)amino]-2,5-dioxopyrrolidin-1-yl}benzoicacid
Smiles: OC(=O)c1ccc(cc1)N1C(=O)CC(C1=O)N(c1ccccc1)O
STK845055
Synonyms: 3-(2-methoxyphenyl)-6-(4-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: COc1ccc(cc1)c1nn2c(s1)nnc2c1ccccc1OC
STK845056
Synonyms: N-[(2E)-3-cyano-10-methyl-5-oxo-1-(propan-2-yl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]benzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccccc1)C(C)C)nc1n(c2=O)cccc1C
STK555436
Synonyms: N~4~-(4-ethoxyphenyl)-N~2~-(3-methylbutyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: CCOc1ccc(cc1)Nc1nc(NCCC(C)C)nc(c1[N+](=O)[O-])N
STK555439
Synonyms: 3-methylbutyl[4-(dimethylamino)phenyl][hydroxy(3,4,5-trimethoxyphenyl)methyl]phosphinate
Smiles: COc1cc(cc(c1OC)OC)C(P(=O)(c1ccc(cc1)N(C)C)OCCC(C)C)O
STK555443
Synonyms: 4-[3-(4-tert-butylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-diethylaniline
Smiles: CCN(c1ccc(cc1)c1nn2c(s1)nnc2c1ccc(cc1)C(C)(C)C)CC
STK845057
Synonyms: methyl2-({(Z)-2-cyano-2-[4-(naphthalen-2-yl)-1,3-thiazol-2-yl]ethenyl}amino)benzoate
Smiles: N#C/C(=C/Nc1ccccc1C(=O)OC)/c1scc(n1)c1ccc2c(c1)cccc2
STK555447
Synonyms: (4aS,4bR,7aS,8R)-8-(2,2-dimethylpropanoyl)-6-(2-methyl-5-nitrophenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: O=C1N(c2cc(ccc2C)[N+](=O)[O-])C(=O)[C@H]2[C@@H]1[C@@H]1C=CC=NN1[C@H]2C(=O)C(C)(C)C
STK555449
Synonyms: 3-(4-ethoxyphenyl)-6-(thiophen-2-ylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nnc2n1nc(s2)Cc1cccs1
STK555452
Synonyms: 3-(3-methylphenyl)-6-(thiophen-2-ylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Cc1cccc(c1)c1nnc2n1nc(s2)Cc1cccs1
STK555454
Synonyms: 6-(4-methoxyphenyl)-3-(4-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: COc1ccc(cc1)c1nn2c(s1)nnc2c1ccc(cc1)C
STK555459
Synonyms: N-benzyl-2-[(3-ethyl-8,8-dimethyl-4-oxo-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Smiles: CCn1c(SCC(=O)NCc2ccccc2)nc2c(c1=O)cc1c(n2)CC(OC1)(C)C
STK845062
Synonyms: N~1~-[(E)-(3-bromophenyl)methylidene]-1H-tetrazole-1,5-diamine
Smiles: Brc1cccc(c1)/C=N/n1nnnc1N
STK555467
Synonyms: N-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine
Smiles: CC1CCN(CC1)c1nc(Nc2cccc(c2)Cl)c(c(n1)N)[N+](=O)[O-]
STK845064
Synonyms: 5-(pyridin-4-yl)-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: n1ccc(cc1)C1Oc2ccccc2C2N1N=C(C2)c1cccs1
STK845065
Synonyms: N~4~-(2-fluorophenyl)-N~2~-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: COc1ccc(cc1)Nc1nc(N)c(c(n1)Nc1ccccc1F)[N+](=O)[O-]
STK555474
Synonyms: 3-ethyl-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: CCn1c(SCC(=O)c2cccs2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
STK845066
Synonyms: (2E)-2-(1,3-benzoxazol-2-yl)-3-(4-fluorophenyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc(cc1)F)/c1nc2c(o1)cccc2
STK555476
Synonyms: 1-{[6-ethyl-6-methyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]amino}propan-2-ol
Smiles: CCC1(C)OCc2c(C1)c1c(NCC(O)C)nc(nc1s2)SC
STK555481
Synonyms: ({2-[2-({[3-(ethoxycarbonyl)-2-methyl-1-benzofuran-5-yl]oxy}acetyl)hydrazinyl]-2-oxoethyl}sulfanyl)aceticacid
Smiles: CCOC(=O)c1c(C)oc2c1cc(OCC(=O)NNC(=O)CSCC(=O)O)cc2
STK845067
Synonyms: N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide
Smiles: COc1ccccc1C(=O)NC1(NC(=O)N(C1=O)CCc1ccccc1)C(F)(F)F
STK555482
Synonyms: 3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl2-methylbenzoate
Smiles: O=c1oc2cc(ccc2cc1c1nc2c(s1)cccc2)OC(=O)c1ccccc1C
STK555485
Synonyms: (5Z)-5-(3-fluorobenzylidene)-2-[(4-fluorophenyl)amino]-1,3-thiazol-4(5H)-one
Smiles: Fc1ccc(cc1)NC1=NC(=O)/C(=C/c2cccc(c2)F)/S1
STK845069
Synonyms: N~4~-(4-fluorophenyl)-5-nitro-N~2~-(prop-2-en-1-yl)pyrimidine-2,4,6-triamine
Smiles: C=CCNc1nc(Nc2ccc(cc2)F)c(c(n1)N)[N+](=O)[O-]
STK845070
Synonyms: (2E)-2-(1,3-benzoxazol-2-yl)-3-(2,6-dichlorophenyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1c(Cl)cccc1Cl)/c1nc2c(o1)cccc2
STK555490
Synonyms: 2-(azepan-1-yl)-N-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine
Smiles: Fc1cccc(c1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCCCCC1
STK555491
Synonyms: 1-{[6,6-dimethyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]amino}propan-2-ol
Smiles: CCCSc1nc(NCC(O)C)c2c(n1)sc1c2CC(OC1)(C)C
STK845072
Synonyms: [3,3-bis(trifluoromethyl)-2-azabicyclo[2.2.1]hept-5-en-2-yl](pyridin-4-yl)methanone
Smiles: O=C(N1C2C=CC(C1(C(F)(F)F)C(F)(F)F)C2)c1ccncc1
STK555497
Synonyms: methyl(8S,8aR,11aS,11bS)-10-(4-methoxyphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylate
Smiles: COc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2c2ccccc2C=C1)C(=O)OC
STK555498
Synonyms: N-(4-chlorophenyl)-2-[(3-ethyl-8,8-dimethyl-4-oxo-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Smiles: CCn1c(SCC(=O)Nc2ccc(cc2)Cl)nc2c(c1=O)cc1c(n2)CC(OC1)(C)C
STK555508
Synonyms: 5-[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
Smiles: O=C(c1c(O)n(C)c(=O)n(c1=O)C)/C=C/c1ccc2c(c1)OCO2
STK555511
Synonyms: 6-cyclohexyl-3-(3-ethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nnc2n1nc(s2)C1CCCCC1
STK845078
Synonyms: 1-(3-methoxypropyl)-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine
Smiles: COCCCn1c2nc3ccccc3nc2c(c1N)S(=O)(=O)c1ccccc1
STK845080
Synonyms: N~4~-(3,4-dimethylphenyl)-N~2~-(4-ethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: CCOc1ccc(cc1)Nc1nc(N)c(c(n1)Nc1ccc(c(c1)C)C)[N+](=O)[O-]
STK555518
Synonyms: ethyl1-(7-methoxy-5H-pyrimido[5,4-b]indol-4-yl)piperidine-4-carboxylate
Smiles: CCOC(=O)C1CCN(CC1)c1ncnc2c1[nH]c1c2ccc(c1)OC
STK845081
Synonyms: 3-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: COc1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccc(cc1Cl)Cl
STK555519
Synonyms: 5-[(2,4-dichlorobenzyl)oxy]-2-(4-phenyl-1H-pyrazol-3-yl)phenol
Smiles: Clc1ccc(c(c1)Cl)COc1ccc(c(c1)O)c1n[nH]cc1c1ccccc1
STK845082
Synonyms: ethyl4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)/C=C(/c1nc2c(s1)cccc2)\C#N
STK555523
Synonyms: 2-(benzylsulfanyl)-3-ethyl-8,8-dimethyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Smiles: CCn1c(SCc2ccccc2)nc2c(c1=O)cc1c(n2)CC(OC1)(C)C
STK845083
Synonyms: 3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-ylpropanoate
Smiles: CCC(=O)Oc1ccc2c(c1)occ(c2=O)c1nc2c(s1)cccc2
STK555533
Synonyms: 1-cycloheptyl-3-hydroxy-4-methyl-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
Smiles: Oc1nn(c2c1c(C)cc(=O)[nH]2)C1CCCCCC1
STK555534
Synonyms: 7-(3-nitrophenyl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
Smiles: [O-][N+](=O)c1cccc(c1)C1C=C(Nc2n1nnn2)c1ccccc1
STK555538
Synonyms: N~2~-(4-methylphenyl)-5-nitro-6-(piperidin-1-yl)pyrimidine-2,4-diamine
Smiles: Cc1ccc(cc1)Nc1nc(N)c(c(n1)N1CCCCC1)[N+](=O)[O-]
STK555541
Synonyms: dicyclohexyl[(3,4-dimethoxyphenyl)(hydroxy)methyl]phosphonate
Smiles: COc1cc(ccc1OC)C(P(=O)(OC1CCCCC1)OC1CCCCC1)O
STK555549
Synonyms: 2-[(3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cccc(c1)C(F)(F)F)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3
STK555551
Synonyms: N,N-diethyl-N'-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine
Smiles: CCN(CCNC1CCCc2c1[nH]c1c2cc(cc1)C)CC
STK555555
Synonyms: [4-(benzyloxy)phenyl][(4-methoxyphenyl)amino]acetonitrile
Smiles: COc1ccc(cc1)NC(c1ccc(cc1)OCc1ccccc1)C#N
STK555558
Synonyms: 7-[(2-chloro-6-fluorobenzyl)oxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4H-chromen-4-one
Smiles: CCc1cc2c(cc1OCc1c(F)cccc1Cl)occ(c2=O)c1ccc2c(c1)OCCCO2
STK555563
Synonyms: N-[(2Z)-3-cyano-10-methyl-1-(2-methylpropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]benzamide
Smiles: N#Cc1cc2c(n(/c/1=N\C(=O)c1ccccc1)CC(C)C)nc1n(c2=O)cccc1C
STK845085
Synonyms: N-{4-[6-(acetylamino)-1,3-benzoxazol-2-yl]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)c1oc2c(n1)ccc(c2)NC(=O)C
STK555565
Synonyms: N-[(2E)-1-butyl-3-cyano-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-2-fluorobenzamide
Smiles: CCCCn1/c(=N/C(=O)c2ccccc2F)/c(C#N)cc2c1nc1c(C)cccn1c2=O
STK555570
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(3-hydroxyphenyl)ethylidene]-5-methyl-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Oc1cccc(c1)/C(=N/NC(=O)c1nnn(c1C)c1nonc1N)/C
STK555572
Synonyms: N-[(2E)-3-cyano-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]acetamide
Smiles: COCCCn1/c(=N/C(=O)C)/c(C#N)cc2c1nc1c(C)cccn1c2=O
STK555574
Synonyms: N~2~-(3-chlorophenyl)-N~4~-cyclohexyl-5-nitropyrimidine-2,4,6-triamine
Smiles: Clc1cccc(c1)Nc1nc(NC2CCCCC2)c(c(n1)N)[N+](=O)[O-]
STK555576
Synonyms: N~4~-(3-methylphenyl)-N~2~-[3-(morpholin-4-yl)propyl]-5-nitropyrimidine-2,4,6-triamine
Smiles: Cc1cccc(c1)Nc1nc(NCCCN2CCOCC2)nc(c1[N+](=O)[O-])N
STK845088
Synonyms: 2,4-dichloro-6-[5-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
Smiles: COc1ccc(c(c1)OC)C1NN=C(C1)c1cc(Cl)cc(c1O)Cl
STK555582
Synonyms: 1-[4-(furan-2-yl)-6-hydroxy-3,6-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-5-yl]ethanone
Smiles: CC(=O)C1C(c2ccco2)c2c(C)onc2CC1(C)O
STK555584
Synonyms: 3-(3-ethoxyphenyl)-6-(naphthalen-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CCOc1cccc(c1)c1nnc2n1N=C(CS2)c1ccc2c(c1)cccc2
STK555585
Synonyms: 3-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}-1H-indole-2-carboxylicacid
Smiles: COc1cc(/C=C/C(=O)Nc2c([nH]c3c2cccc3)C(=O)O)ccc1OC
STK555604
Synonyms: 3-ethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
Smiles: CCn1c(SCC(=O)c2ccccc2)nc2c(c1=O)cc1c(n2)CCCC1
STK555612
Synonyms: N-(3-chlorophenyl)-5-nitro-2-(pyrrolidin-1-yl)pyrimidine-4,6-diamine
Smiles: Clc1cccc(c1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCCC1
STK555616
Synonyms: N-[4-amino-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-2-yl]glycine
Smiles: OC(=O)CNc1nc(N2CCCC2)c(c(n1)N)[N+](=O)[O-]
STK555617
Synonyms: 3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yldiphenylcarbamate
Smiles: O=C(N(c1ccccc1)c1ccccc1)Oc1ccc2c(c1)oc(c(c2=O)c1nc2c(s1)cccc2)C
STK845092
Synonyms: N~4~-(2-methoxyphenyl)-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine
Smiles: COc1ccccc1Nc1nc(NCCc2ccccc2)nc(c1[N+](=O)[O-])N
STK555620
Synonyms: 5-benzyl-3-(4-ethylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCc1ccc(cc1)C1N(OC2C1C(=O)N(C2=O)Cc1ccccc1)c1ccccc1
STK555622
Synonyms: 2-{[6-amino-5-nitro-2-(phenylamino)pyrimidin-4-yl]amino}ethanol
Smiles: OCCNc1nc(Nc2ccccc2)nc(c1[N+](=O)[O-])N
STK555625
Synonyms: (6aR,6bS,9aR,10S)-8-(1,3-benzodioxol-5-yl)-10-(furan-2-ylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: O=C1N(c2ccc3c(c2)OCO3)C(=O)[C@@H]2[C@H]1[C@H]1C=Cc3c(N1[C@@H]2C(=O)c1ccco1)cccc3
STK555634
Synonyms: N~2~-(3-methoxyphenyl)-N~4~-(4-methylphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: COc1cccc(c1)Nc1nc(N)c(c(n1)Nc1ccc(cc1)C)[N+](=O)[O-]
STK555645
Synonyms: N~2~-(2-methoxyethyl)-5-nitro-N~4~-phenylpyrimidine-2,4,6-triamine
Smiles: COCCNc1nc(Nc2ccccc2)c(c(n1)N)[N+](=O)[O-]
STK845096
Synonyms: 2-(4-benzylpiperazin-1-yl)-N-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine
Smiles: Fc1cccc(c1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCN(CC1)Cc1ccccc1
STK845097
Synonyms: N~4~-(2,5-dimethoxyphenyl)-N~2~-[3-(morpholin-4-yl)propyl]-5-nitropyrimidine-2,4,6-triamine
Smiles: COc1ccc(c(c1)Nc1nc(NCCCN2CCOCC2)nc(c1[N+](=O)[O-])N)OC
STK845098
Synonyms: (2E)-1-(5-chloro-2-hydroxyphenyl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
Smiles: COc1cc(OC)ccc1/C=C/C(=O)c1cc(Cl)ccc1O
STK555651
Synonyms: 6-(azepan-1-yl)-N~2~-benzyl-5-nitropyrimidine-2,4-diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCCCC1)NCc1ccccc1
STK555652
Synonyms: N-[(2E)-1-butyl-3-cyano-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-4-methyl-3-nitrobenzamide
Smiles: CCCCn1/c(=N/C(=O)c2ccc(c(c2)[N+](=O)[O-])C)/c(C#N)cc2c1nc1c(C)cccn1c2=O
STK555657
Synonyms: 2-{4-[(2-methylcyclohexyl)amino]quinazolin-2-yl}phenol
Smiles: CC1CCCCC1Nc1nc(nc2c1cccc2)c1ccccc1O
STK555659
Synonyms: 1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-2-carbonitrile
Smiles: COc1ccc(cc1)N1C(=O)CCC1(C#N)c1ccc(cc1)OC
STK555665
Synonyms: 2-ethyl4-methyl5-[4,6-dioxo-2-phenyl-3-(thiophen-2-yl)hexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-3-methylthiophene-2,4-dicarboxylate
Smiles: CCOC(=O)c1sc(c(c1C)C(=O)OC)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cccs1
STK555668
Synonyms: N-(1-benzyl-2,5-dioxopyrrolidin-3-yl)-N-hydroxyheptanamide
Smiles: CCCCCCC(=O)N(C1CC(=O)N(C1=O)Cc1ccccc1)O
STK845101
Synonyms: 3-(3-chlorophenyl)-6-(2-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: COc1ccccc1c1sc2n(n1)c(nn2)c1cccc(c1)Cl
STK845102
Synonyms: 5-(4-chlorophenyl)-7-(2-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
Smiles: Clc1ccc(cc1)C1=CC(n2c(N1)nnn2)c1ccccc1F
STK555674
Synonyms: 3-(4-tert-butylphenyl)-6-(thiophen-2-ylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CC(c1ccc(cc1)c1nnc2n1nc(s2)Cc1cccs1)(C)C
STK555680
Synonyms: 2-[2-(4-methoxyphenyl)-5,6-diphenyl-1H-imidazo[1,2-a]imidazol-1-yl]ethanol
Smiles: OCCn1c(cn2c1nc(c2c1ccccc1)c1ccccc1)c1ccc(cc1)OC
STK845104
Synonyms: 2,6-di(morpholin-4-yl)-5-nitropyrimidin-4-amine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCOCC1)N1CCOCC1
STK555683
Synonyms: 4-(4-chlorophenyl)-1-(ethylsulfanyl)-7-methyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)Cl)CC(CC3)C
STK555686
Synonyms: 3-methyl-5-propylpiperidine-2,6-dione
Smiles: CC1CC(CCC)C(=O)NC1=O
STK845106
Synonyms: 3-(4-methylphenyl)-6-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Cc1ccc(cc1)c1nnc2n1nc(s2)COc1ccccc1
STK555708
Synonyms: 6-(4-benzylpiperidin-1-yl)-5-nitro-2-(piperidin-1-yl)pyrimidin-4-amine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCC(CC1)Cc1ccccc1)N1CCCCC1
STK845108
Synonyms: 3-(3-chlorophenyl)-6-(furan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Clc1cccc(c1)c1nnc2n1nc(s2)c1ccco1
STK555715
Synonyms: 2-(4-benzylpiperidin-1-yl)-N-(4-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine
Smiles: CCOc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCC(CC1)Cc1ccccc1
STK555720
Synonyms: N~4~-benzyl-N~2~-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: [O-][N+](=O)c1c(NCc2ccccc2)nc(nc1N)Nc1ccc(c(c1)C)C
STK845110
Synonyms: methyl4-[(E)-2-(1,3-benzoxazol-2-yl)-2-cyanoethenyl]benzoate
Smiles: N#C/C(=C\c1ccc(cc1)C(=O)OC)/c1nc2c(o1)cccc2
STK555723
Synonyms: N-[(2E)-3-cyano-10-methyl-1-(2-methylpropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-2,6-difluorobenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1c(F)cccc1F)CC(C)C)nc1n(c2=O)cccc1C
STK555729
Synonyms: 9'-bromo-2'-(2,4-dichlorophenyl)-1-methyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: CN1CCC2(CC1)Oc1ccc(cc1C1N2N=C(C1)c1ccc(cc1Cl)Cl)Br
STK555732
Synonyms: (4aS,4bR,7aS,8R)-6-(4-chlorophenyl)-8-(2,2-dimethylpropanoyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: Clc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=CC=N1)C(=O)C(C)(C)C
STK845112
Synonyms: 1-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)cyclopentanecarboxamide
Smiles: COc1cc(ccc1OC)C1(CCCC1)C(=O)NCc1ccco1
STK555735
Synonyms: N~4~-(3-fluorophenyl)-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine
Smiles: Fc1cccc(c1)Nc1nc(NCCc2ccccc2)nc(c1[N+](=O)[O-])N
STK555738
Synonyms: 3-ethyl-2-(ethylsulfanyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CCSc1nc2sc3c(c2c(=O)n1CC)CCN(C3)C
STK845113
Synonyms: N~4~-(4-ethoxyphenyl)-N~2~-[3-(morpholin-4-yl)propyl]-5-nitropyrimidine-2,4,6-triamine
Smiles: CCOc1ccc(cc1)Nc1nc(NCCCN2CCOCC2)nc(c1[N+](=O)[O-])N
STK555744
Synonyms: 6-(biphenyl-4-yl)-3-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Clc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc(cc1)c1ccccc1
STK555745
Synonyms: 2-methoxy-N-(5-oxo-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
Smiles: COc1ccccc1C(=O)Nc1nn2c(n1)NC(=O)CC2c1ccccc1
STK555748
Synonyms: (3aR,6aS)-5-(3-bromophenyl)-3-(2,4-dichlorophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: Clc1ccc(c(c1)Cl)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1)Br
STK555754
Synonyms: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazol-3-yl]-6-propylbenzene-1,3-diol
Smiles: CCCc1cc(c(cc1O)O)c1n[nH]cc1c1ccc2c(c1)OCCCO2
STK555755
Synonyms: 2-[(4-amino-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]-N-phenylacetamide
Smiles: O=C(Nc1ccccc1)CSc1nc(N)c2c(n1)nc1c(c2)CCCC1
STK555756
Synonyms: 2-{[5-(piperidin-1-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]amino}ethanol
Smiles: OCCNc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCCCC1
STK555757
Synonyms: 3-(2,4-dichlorophenyl)-7-(naphthalen-2-yl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
Smiles: Clc1ccc(c(c1)Cl)C1=NOC2(C1)CC(=O)N(C2=O)c1ccc2c(c1)cccc2
STK555765
Synonyms: 4-chloro-N-[(2E)-3-cyano-10-methyl-5-oxo-1-(propan-2-yl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]benzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccc(cc1)Cl)C(C)C)nc1n(c2=O)cccc1C
STK555766
Synonyms: N-[(2Z)-3-cyano-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]benzamide
Smiles: COCCCn1/c(=N\C(=O)c2ccccc2)/c(C#N)cc2c1nc1c(C)cccn1c2=O
STK845118
Synonyms: 2,6-di(azepan-1-yl)-5-nitropyrimidin-4-amine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCCCC1)N1CCCCCC1
STK845119
Synonyms: 4-chloro-2-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]phenol
Smiles: COc1ccccc1c1[nH]nc(c1)c1cc(Cl)ccc1O
STK555777
Synonyms: 4-(3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)benzene-1,2-diol
Smiles: Oc1cc(ccc1O)C1=Nn2c(SC1)nnc2c1ccccc1
STK555779
Synonyms: 3-(3-methoxyphenyl)-6-(thiophen-2-ylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: COc1cccc(c1)c1nnc2n1nc(s2)Cc1cccs1
STK555780
Synonyms: N~4~-cyclohexyl-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: Cc1ccc(cc1)CNc1nc(N)c(c(n1)NC1CCCCC1)[N+](=O)[O-]
STK555786
Synonyms: 8,8-dimethyl-5-(morpholin-4-yl)-2-(4-nitrophenyl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridin-1-amine
Smiles: [O-][N+](=O)c1ccc(cc1)c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCOCC1
STK555787
Synonyms: N-cyclohexyl-2-(pyridin-2-yl)quinazolin-4-amine
Smiles: C1CCC(CC1)Nc1nc(nc2c1cccc2)c1ccccn1
STK555789
Synonyms: N-[(2E)-1-butyl-3-cyano-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-4-nitrobenzamide
Smiles: CCCCn1/c(=N/C(=O)c2ccc(cc2)[N+](=O)[O-])/c(C#N)cc2c1nc1c(C)cccn1c2=O
STK555791
Synonyms: N~2~-(2,5-dimethoxyphenyl)-N~4~-(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: COc1ccc(c(c1)Nc1nc(N)c(c(n1)Nc1cccc(c1)F)[N+](=O)[O-])OC
STK845121
Synonyms: ethyl3-(1,3-benzothiazol-2-yl)-7-[(2-methylpropanoyl)oxy]-4-oxo-4H-chromene-2-carboxylate
Smiles: CCOC(=O)c1oc2cc(ccc2c(=O)c1c1nc2c(s1)cccc2)OC(=O)C(C)C
STK555792
Synonyms: N~1~-[(E)-(5-bromo-2-methoxyphenyl)methylidene]-1H-tetrazole-1,5-diamine
Smiles: COc1ccc(cc1/C=N/n1nnnc1N)Br
STK845124
Synonyms: (2E)-2-(1,3-benzothiazol-2-yl)-3-[(2-fluorophenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccccc1F)/c1nc2c(s1)cccc2
STK845125
Synonyms: N~4~-(2,5-dimethoxyphenyl)-N~2~-[2-(morpholin-4-yl)ethyl]-5-nitropyrimidine-2,4,6-triamine
Smiles: COc1ccc(cc1Nc1nc(NCCN2CCOCC2)nc(c1[N+](=O)[O-])N)OC
STK845126
Synonyms: 4-{[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]amino}-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
Smiles: N#C/C(=C\Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C)/c1nc2c(s1)cccc2
STK555797
Synonyms: N~2~-benzyl-N~2~-methyl-N~4~-(3-methylphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: Cc1cccc(c1)Nc1nc(nc(c1[N+](=O)[O-])N)N(Cc1ccccc1)C
STK845127
Synonyms: N-(2-methoxyethyl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine
Smiles: COCCNc1nnnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1
STK845130
Synonyms: 2-(azepan-1-yl)-N-cyclohexyl-5-nitropyrimidine-4,6-diamine
Smiles: [O-][N+](=O)c1c(NC2CCCCC2)nc(nc1N)N1CCCCCC1
STK555808
Synonyms: 5-(naphthalen-2-yl)-2-phenyl-3-(pyridin-4-yl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: O=C1N(c2ccc3c(c2)cccc3)C(=O)C2C1ON(C2c1ccncc1)c1ccccc1
STK555812
Synonyms: 6-(4-ethylpiperazin-1-yl)-N~2~-(furan-2-ylmethyl)-5-nitropyrimidine-2,4-diamine
Smiles: CCN1CCN(CC1)c1nc(NCc2ccco2)nc(c1[N+](=O)[O-])N
STK555813
Synonyms: N~2~-(4-chlorobenzyl)-N~4~-(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: Clc1ccc(cc1)CNc1nc(N)c(c(n1)Nc1cccc(c1)F)[N+](=O)[O-]
STK555817
Synonyms: 4-(4-chlorophenyl)-1-sulfanyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Clc1ccc(cc1)n1c(=O)c2c3CCCCc3sc2n2c1nnc2S
STK555818
Synonyms: 3-(4-tert-butylphenyl)-6-(3-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Cc1cccc(c1)c1nn2c(s1)nnc2c1ccc(cc1)C(C)(C)C
STK555819
Synonyms: (2'R,3'R)-3'-(2,2-dimethylpropanoyl)-2'-(furan-2-yl)-2,2-dimethyl-2',3'-dihydro-10b'H-spiro[1,3-dioxane-5,1'-pyrrolo[2,1-a]phthalazine]-4,6-dione
Smiles: O=C(C(C)(C)C)[C@@H]1N2N=Cc3c(C2C2([C@H]1c1ccco1)C(=O)OC(OC2=O)(C)C)cccc3
STK555832
Synonyms: 2-[(3-ethyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(1-phenylpropan-2-yl)acetamide
Smiles: CCn1c(SCC(=O)NC(Cc2ccccc2)C)nc2c(c1=O)c1CCN(Cc1s2)C
STK845131
Synonyms: N-[(4-{[(E)-2-cyano-2-(1-methyl-1H-benzimidazol-2-yl)ethenyl]amino}phenyl)sulfonyl]acetamide
Smiles: N#C/C(=C\Nc1ccc(cc1)S(=O)(=O)NC(=O)C)/c1nc2c(n1C)cccc2
STK555834
Synonyms: N~2~-benzyl-N~2~-methyl-5-nitro-N~4~-(tetrahydrofuran-2-ylmethyl)pyrimidine-2,4,6-triamine
Smiles: CN(c1nc(NCC2CCCO2)c(c(n1)N)[N+](=O)[O-])Cc1ccccc1
STK555835
Synonyms: N,N-dimethyl-N'-[4-(morpholin-4-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]propane-1,3-diamine
Smiles: CN(CCCNc1ncnc2c1sc1c2c2CCCc2c(n1)N1CCOCC1)C
STK555838
Synonyms: 2,4-dichloro-6-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]phenol
Smiles: Clc1ccc(c(c1)Cl)c1[nH]nc(c1)c1cc(Cl)cc(c1O)Cl
STK555841
Synonyms: 5-(4-nitrophenyl)-2-phenyl-3-propyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCCC1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1
STK845132
Synonyms: N~2~-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine
Smiles: COc1ccc(cc1)Nc1nc(N)c(c(n1)N1CCC(CC1)C)[N+](=O)[O-]
STK555844
Synonyms: methyl(8S,8aR,11aS,11bS)-10-(2-chlorophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylate
Smiles: COC(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1Cl)cccc3
STK555848
Synonyms: (3aR,4S,8aR,8bS)-2-(4-chlorophenyl)-4-[(4-methoxyphenyl)carbonyl]hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione
Smiles: COc1ccc(cc1)C(=O)[C@H]1N2CCC[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)Cl
STK555849
Synonyms: 4-[4-(pyrrolidin-1-ylsulfonyl)phenyl]-1,3-thiazol-2-amine
Smiles: Nc1scc(n1)c1ccc(cc1)S(=O)(=O)N1CCCC1
STK555852
Synonyms: 6-(4-benzylpiperidin-1-yl)-2-chloro-5-nitropyrimidin-4-amine
Smiles: Clc1nc(N2CCC(CC2)Cc2ccccc2)c(c(n1)N)[N+](=O)[O-]
STK555856
Synonyms: N-benzyl-2-{[5-(benzylsulfanyl)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
Smiles: O=C(CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CC(C)(C)OCc2s1)NCc1ccccc1
STK555858
Synonyms: 6-(4-fluorophenyl)-3-(pyridin-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Fc1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccccn1
STK555859
Synonyms: N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl}-4-methylbenzamide
Smiles: COc1cc(CCN2C3=C(C(C2=O)(NC(=O)c2ccc(cc2)C)C(F)(F)F)C(=O)CC(C3)(C)C)ccc1OC
STK845137
Synonyms: (2E)-2-(1,3-benzoxazol-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc(c(c1)OC)OC)/c1nc2c(o1)cccc2
STK555863
Synonyms: 6-(3-bromophenyl)-3-(pyridin-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Brc1cccc(c1)C1=Nn2c(SC1)nnc2c1ccccn1
STK555867
Synonyms: methyl3,3,3-trifluoro-2-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-2-[(thiophen-2-ylcarbonyl)amino]propanoate
Smiles: COC(=O)C(C(F)(F)F)(C1=C(O)CC(CC1=O)(C)C)NC(=O)c1cccs1
STK555868
Synonyms: 7-chloro-4-(2-methylpropyl)-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CSc1nc(Cl)c2c(n1)c1c(s2)nc(c2c1CCC2)CC(C)C
STK555873
Synonyms: ethyl5,6-dimethoxy-3-({[3-(trifluoromethyl)phenyl]carbonyl}amino)-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1cccc(c1)C(F)(F)F)cc(c(c2)OC)OC
STK555878
Synonyms: N-(2-methoxyethyl)-2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-8-amine
Smiles: COCCNc1nnnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1
STK845139
Synonyms: 3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-4H-chromen-7-yl2,2-dimethylpropanoate
Smiles: O=c1c(coc2c1ccc(c2C)OC(=O)C(C)(C)C)c1nc2c(s1)cccc2
STK555883
Synonyms: N~4~-(4-fluorophenyl)-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine
Smiles: Fc1ccc(cc1)Nc1nc(NCCc2ccccc2)nc(c1[N+](=O)[O-])N
STK845140
Synonyms: N~4~-(3-fluorophenyl)-5-nitro-N~2~-phenylpyrimidine-2,4,6-triamine
Smiles: Fc1cccc(c1)Nc1nc(Nc2ccccc2)nc(c1[N+](=O)[O-])N
STK555886
Synonyms: 1-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(3-methylphenyl)-3-(2-phenylethyl)urea
Smiles: Cc1cccc(c1)N(C1=NCC(S1)(C)C)C(=O)NCCc1ccccc1
STK845141
Synonyms: N~2~-[3-(morpholin-4-yl)propyl]-5-nitro-N~4~-phenylpyrimidine-2,4,6-triamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1Nc1ccccc1)NCCCN1CCOCC1
STK555888
Synonyms: N~2~-(3,4-dimethylphenyl)-N~4~-(4-methylphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: Cc1ccc(cc1)Nc1nc(Nc2ccc(c(c2)C)C)nc(c1[N+](=O)[O-])N
STK845142
Synonyms: 5-nitro-6-(piperidin-1-yl)-2-(pyrrolidin-1-yl)pyrimidin-4-amine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCCC1)N1CCCC1
STK845143
Synonyms: 2-({6-amino-2-[(3,4-dimethylphenyl)amino]-5-nitropyrimidin-4-yl}amino)ethanol
Smiles: OCCNc1nc(Nc2ccc(c(c2)C)C)nc(c1[N+](=O)[O-])N
STK845144
Synonyms: N~2~-(furan-2-ylmethyl)-N~4~-(2-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: COc1ccccc1Nc1nc(NCc2ccco2)nc(c1[N+](=O)[O-])N
STK555896
Synonyms: 2-(3,5-dimethylpiperidin-1-yl)-N-(4-fluorophenyl)-5-nitropyrimidine-4,6-diamine
Smiles: CC1CC(C)CN(C1)c1nc(Nc2ccc(cc2)F)c(c(n1)N)[N+](=O)[O-]
STK555899
Synonyms: N~4~-(3-fluorophenyl)-N~2~-methyl-5-nitro-N~2~-phenylpyrimidine-2,4,6-triamine
Smiles: Fc1cccc(c1)Nc1nc(nc(c1[N+](=O)[O-])N)N(c1ccccc1)C
STK555906
Synonyms: N-[(2E)-1-butyl-3-cyano-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-4-chlorobenzamide
Smiles: CCCCn1/c(=N/C(=O)c2ccc(cc2)Cl)/c(C#N)cc2c1nc1c(C)cccn1c2=O
STK845147
Synonyms: 3-(3-chlorophenyl)-6-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Clc1cccc(c1)c1nnc2n1nc(s2)c1ccccc1
STK555907
Synonyms: N'-[(E)-(3-bromophenyl)methylidene]-2-(3,5-dimethyl-1H-pyrazol-1-yl)acetohydrazide
Smiles: O=C(Cn1nc(cc1C)C)N/N=C/c1cccc(c1)Br
STK555910
Synonyms: 4-chloro-N-[(2Z)-3-cyano-1-(furan-2-ylmethyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]benzamide
Smiles: N#Cc1cc2c(n(/c/1=N\C(=O)c1ccc(cc1)Cl)Cc1ccco1)nc1n(c2=O)cccc1C
STK555918
Synonyms: 4-butyl-N-(2-methoxyethyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-amine
Smiles: CCCCc1nc2sc3c(c2c2c1CCC2)ncnc3NCCOC
STK555919
Synonyms: 5,5'-(E)-diazene-1,2-diylbis(1H-1,2,4-triazole)
Smiles: c1nc([nH]n1)/N=N/c1ncn[nH]1
STK555922
Synonyms: N-[(2Z)-1-butyl-3-cyano-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]thiophene-2-carboxamide
Smiles: CCCCn1/c(=N\C(=O)c2cccs2)/c(C#N)cc2c1nc1c(C)cccn1c2=O
STK555923
Synonyms: 6-(4-methylpiperazin-1-yl)-5-nitro-N~2~-(tetrahydrofuran-2-ylmethyl)pyrimidine-2,4-diamine
Smiles: CN1CCN(CC1)c1nc(NCC2CCCO2)nc(c1[N+](=O)[O-])N
STK555924
Synonyms: 2-oxo-N-[2-(piperidin-1-yl)ethyl]-2H-pyran-5-carboxamide
Smiles: O=c1ccc(co1)C(=O)NCCN1CCCCC1
STK555926
Synonyms: N-[(2E)-1-butyl-3-cyano-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]furan-2-carboxamide
Smiles: CCCCn1/c(=N/C(=O)c2ccco2)/c(C#N)cc2c1nc1c(C)cccn1c2=O
STK555927
Synonyms: N~2~-[3-(dimethylamino)propyl]-5-nitro-N~4~-phenylpyrimidine-2,4,6-triamine
Smiles: CN(CCCNc1nc(Nc2ccccc2)c(c(n1)N)[N+](=O)[O-])C
STK555930
Synonyms: 3-imino-1,7-dimethyl-5-(thiophen-2-yl)-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
Smiles: N#CC12C(=N)OC(OC1c1cccs1)(C(C2(C#N)C#N)C)C
STK845149
Synonyms: methyl2-{[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]amino}benzoate
Smiles: COC(=O)c1ccccc1N/C=C(/c1nc2c([nH]1)cccc2)\C#N
STK555936
Synonyms: 2-methoxy-6-(4-{[3-(morpholin-4-yl)propyl]amino}quinazolin-2-yl)phenol
Smiles: COc1cccc(c1O)c1nc(NCCCN2CCOCC2)c2c(n1)cccc2
STK555944
Synonyms: N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]-2-(3-methyl-1H-pyrazol-1-yl)acetohydrazide
Smiles: O=C(Cn1ccc(n1)C)N/N=C/c1c(O)ccc2c1cccc2
STK845152
Synonyms: N~2~-(butan-2-yl)-N~4~-cyclohexyl-5-nitropyrimidine-2,4,6-triamine
Smiles: CCC(Nc1nc(NC2CCCCC2)c(c(n1)N)[N+](=O)[O-])C
STK555953
Synonyms: N-[(2Z)-3-cyano-10-methyl-1-(2-methylpropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-2-methylbenzamide
Smiles: N#Cc1cc2c(n(/c/1=N\C(=O)c1ccccc1C)CC(C)C)nc1n(c2=O)cccc1C
STK555959
Synonyms: 1-(2,3-dihydro-1,4-benzodioxin-2-yl)ethanamine
Smiles: CC(C1COc2c(O1)cccc2)N
STK845154
Synonyms: N-[(4-{[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]amino}phenyl)sulfonyl]acetamide
Smiles: N#C/C(=C\Nc1ccc(cc1)S(=O)(=O)NC(=O)C)/c1nc2c(s1)cccc2
STK555962
Synonyms: N-[(2E)-3-cyano-10-methyl-1-(2-methylpropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]pyridine-4-carboxamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccncc1)CC(C)C)nc1n(c2=O)cccc1C
STK555963
Synonyms: N-cyclohexyl-2-(4-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine
Smiles: CC1CCN(CC1)c1nc(NC2CCCCC2)c(c(n1)N)[N+](=O)[O-]
STK555964
Synonyms: 6-(naphthalen-2-yl)-3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: c1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc2c(c1)cccc2
STK555968
Synonyms: methyl3-{[(2,6-difluorophenyl)carbonyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1c(F)cccc1F)cccc2
STK555969
Synonyms: 8-(4-methylpiperazin-1-yl)-5-(piperidin-1-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Smiles: CN1CCN(CC1)c1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCCCC1
STK555975
Synonyms: 6-(4-bromophenyl)-3-(pyridin-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Brc1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccccn1
STK845156
Synonyms: 3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-ylthiophene-2-carboxylate
Smiles: COc1ccc(cc1)c1c(=O)c2ccc(cc2oc1C(F)(F)F)OC(=O)c1cccs1
STK555980
Synonyms: N-[(2E)-1-butyl-3-cyano-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-2-methylbenzamide
Smiles: CCCCn1/c(=N/C(=O)c2ccccc2C)/c(C#N)cc2c1nc1c(C)cccn1c2=O
STK555984
Synonyms: 8-amino-3-cyclohexyl-7-methylbenzo[g]pteridine-2,4(3H,10H)-dione
Smiles: Nc1cc2[nH]c3nc(=O)n(c(=O)c3nc2cc1C)C1CCCCC1
STK555986
Synonyms: (5Z)-5-(2,5-dimethoxybenzylidene)-2-[(2-methylphenyl)amino]-1,3-thiazol-4(5H)-one
Smiles: COc1ccc(c(c1)/C=C/1\SC(=NC1=O)Nc1ccccc1C)OC
STK845157
Synonyms: 6-(4-benzylpiperidin-1-yl)-N~2~,N~2~-dimethyl-5-nitropyrimidine-2,4-diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCC(CC1)Cc1ccccc1)N(C)C
STK845158
Synonyms: 8-[benzyl(methyl)amino]-7-(4-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)Cn1c(nc2c1c(=O)n(c(=O)n2C)C)N(Cc1ccccc1)C
STK555999
Synonyms: 1-[1-(3-chloro-4-methoxyphenyl)ethyl]guanidine
Smiles: COc1ccc(cc1Cl)C(NC(=N)N)C
STK556001
Synonyms: N,N-diethyl-4-[3-(pyridin-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
Smiles: CCN(c1ccc(cc1)c1nn2c(s1)nnc2c1ccncc1)CC
STK556002
Synonyms: (2E)-2-cyano-3-(cyclopentylamino)but-2-enamide
Smiles: N#C/C(=C(\NC1CCCC1)/C)/C(=O)N
STK556003
Synonyms: N-({1-[(4-methylphenyl)sulfonyl]piperidin-4-yl}carbonyl)-L-valine
Smiles: CC([C@@H](C(=O)O)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C)C
STK556005
Synonyms: N-(1-butyl-1H-pyrazolo[3,4-b]quinolin-3-yl)benzamide
Smiles: CCCCn1nc(c2c1nc1ccccc1c2)NC(=O)c1ccccc1
STK845159
Synonyms: 2-(4-benzylpiperazin-1-yl)-N-(4-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine
Smiles: CCOc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCN(CC1)Cc1ccccc1
STK556007
Synonyms: N-(3,4-dimethylphenyl)-2-(4-ethylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine
Smiles: CCN1CCN(CC1)c1nc(Nc2ccc(c(c2)C)C)c(c(n1)N)[N+](=O)[O-]
STK556009
Synonyms: N-[(2E)-3-cyano-10-methyl-1-(2-methylpropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-3,4,5-trimethoxybenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1cc(OC)c(c(c1)OC)OC)CC(C)C)nc1n(c2=O)cccc1C
STK845160
Synonyms: (2E)-2-(1H-benzimidazol-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc2c(c1)OCCO2)/c1nc2c([nH]1)cccc2
STK556020
Synonyms: (2''R,3''R)-3''-(2,2-dimethylpropanoyl)-2''-(4-methoxyphenyl)-2'',3''-dihydro-10b''H-dispiro[cyclopentane-1,2'-[1,3]dioxane-5',1''-pyrrolo[2,1-a]phthalazine]-4',6'-dione
Smiles: COc1ccc(cc1)[C@H]1[C@@H](N2C(C31C(=O)OC1(OC3=O)CCCC1)c1ccccc1C=N2)C(=O)C(C)(C)C
STK556024
Synonyms: (2E)-N-({4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamothioyl)-3-(thiophen-2-yl)prop-2-enamide
Smiles: COc1ncnc(c1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)/C=C/c1cccs1
STK556025
Synonyms: (3Z)-3-[(benzylamino)methylidene]-5-hydroxy-1,3-dihydro-2H-indol-2-one
Smiles: Oc1ccc2c(c1)/C(=C/NCc1ccccc1)/C(=O)N2
STK845161
Synonyms: N~4~-(3-fluorophenyl)-N~2~,N~2~-dimethyl-5-nitropyrimidine-2,4,6-triamine
Smiles: Fc1cccc(c1)Nc1nc(nc(c1[N+](=O)[O-])N)N(C)C
STK845162
Synonyms: 3-methyl-5H-[1,3]thiazolo[2,3-b]quinazolin-5-one
Smiles: Cc1csc2n1c(=O)c1c(n2)cccc1
STK845163
Synonyms: 3-(4-methyl-1,3-thiazol-2-yl)-2-oxo-2H-chromen-7-yl4-chlorobutanoate
Smiles: ClCCCC(=O)Oc1ccc2c(c1)oc(=O)c(c2)c1scc(n1)C
STK556030
Synonyms: 2-(azepan-1-yl)-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
Smiles: CC1CCN(CC1)c1nc(nc(c1[N+](=O)[O-])N)N1CCCCCC1
STK556031
Synonyms: 6-bromo-N-[2-(diethylamino)ethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
Smiles: CCN(CCNC(=O)c1c(C)oc2c1cc(OC)c(c2)Br)CC
STK556032
Synonyms: (3aR,6aS)-5-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: Clc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C(=NO2)c1ccc(cc1Cl)Cl
STK556037
Synonyms: N-[(2E)-1-butyl-3-cyano-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-2-chlorobenzamide
Smiles: CCCCn1/c(=N/C(=O)c2ccccc2Cl)/c(C#N)cc2c1nc1c(C)cccn1c2=O
STK556040
Synonyms: 2-(5-methyl-1H-pyrazol-1-yl)-N'-[(E)-(5-nitrothiophen-2-yl)methylidene]acetohydrazide
Smiles: O=C(Cn1nccc1C)N/N=C/c1ccc(s1)[N+](=O)[O-]
STK556043
Synonyms: 2-[(3-ethyl-8,8-dimethyl-4-oxo-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(naphthalen-1-yl)acetamide
Smiles: CCn1c(SCC(=O)Nc2cccc3c2cccc3)nc2c(c1=O)cc1c(n2)CC(OC1)(C)C
STK845167
Synonyms: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[(4-fluorobenzyl)oxy]-2-methyl-6-propyl-4H-chromen-4-one
Smiles: CCCc1cc2c(cc1OCc1ccc(cc1)F)oc(c(c2=O)c1ccc2c(c1)OCCO2)C
STK556045
Synonyms: (5Z)-5-[(3-phenyl-1H-pyrazol-4-yl)methylidene]-2-(pyrrolidin-1-yl)-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C\c1c[nH]nc1c1ccccc1)N1CCCC1
STK556049
Synonyms: (6E)-6-(1,3-benzodioxol-5-ylmethylidene)-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C\c1ccc2c(c1)OCO2)c1cccnc1
STK556054
Synonyms: N-[(2E)-3-cyano-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-2-methyl-3-nitrobenzamide
Smiles: COCCCn1/c(=N/C(=O)c2cccc(c2C)[N+](=O)[O-])/c(C#N)cc2c1nc1c(C)cccn1c2=O
STK556055
Synonyms: methyl(8S,8aR,11aS,11bS)-9,11-dioxo-10-[3-(trifluoromethyl)phenyl]-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylate
Smiles: COC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1cccc(c1)C(F)(F)F
STK556057
Synonyms: N~4~-(2-methoxyphenyl)-N~2~-methyl-5-nitropyrimidine-2,4,6-triamine
Smiles: CNc1nc(Nc2ccccc2OC)c(c(n1)N)[N+](=O)[O-]
STK556060
Synonyms: 2-(4-ethylpiperazin-1-yl)-5-nitro-N-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,6-diamine
Smiles: CCN1CCN(CC1)c1nc(NCC2CCCO2)c(c(n1)N)[N+](=O)[O-]
STK845168
Synonyms: 3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-ylcyclohexanecarboxylate
Smiles: O=C(C1CCCCC1)Oc1ccc2c(c1)occ(c2=O)c1nc2c(s1)cccc2
STK845172
Synonyms: 1-cyclohexyl-3,4-dimethyl-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
Smiles: Cc1nn(c2c1c(C)cc(=O)[nH]2)C1CCCCC1
STK556070
Synonyms: N'-[(E)-(2,4-dihydroxyphenyl)methylidene]-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbohydrazide
Smiles: Oc1ccc(c(c1)O)/C=N/NC(=O)C12CCC(C2(C)C)(C(=O)O1)C
STK556071
Synonyms: 3,4-difluoro-N-{[2-(thiophen-2-ylacetyl)hydrazinyl]carbonothioyl}benzamide
Smiles: O=C(Cc1cccs1)NNC(=S)NC(=O)c1ccc(c(c1)F)F
STK556076
Synonyms: 3-(4-bromophenyl)-7-[(2-chloro-6-fluorobenzyl)oxy]-4H-chromen-4-one
Smiles: Brc1ccc(cc1)c1coc2c(c1=O)ccc(c2)OCc1c(F)cccc1Cl
STK556078
Synonyms: 2-(4-fluorophenyl)-2-oxoethyl4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
Smiles: Fc1ccc(cc1)C(=O)COC(=O)c1ccc(cc1)c1nnc(o1)c1ccccc1
STK845175
Synonyms: 2-(2,6-dimethylmorpholin-4-yl)-N-(4-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine
Smiles: CCOc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CC(C)OC(C1)C
STK556089
Synonyms: N-[(2E)-3-cyano-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-4-methyl-3-nitrobenzamide
Smiles: COCCCn1/c(=N/C(=O)c2ccc(c(c2)[N+](=O)[O-])C)/c(C#N)cc2c1nc1c(C)cccn1c2=O
STK556091
Synonyms: N-[(5-methyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-2-[4-(propan-2-yloxy)phenoxy]acetamide
Smiles: O=C(NC(=S)Nc1c(C)ccc2c1nsn2)COc1ccc(cc1)OC(C)C
STK556095
Synonyms: 2,2-dimethyl-5-(morpholin-4-yl)-9-(1,3-thiazol-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(9H)-one
Smiles: O=c1c2sc3c(c2ncn1c1nccs1)c1CC(C)(C)OCc1c(n3)N1CCOCC1
STK556099
Synonyms: (3Z)-3-{[(2-hydroxyethyl)amino]methylidene}-1,3-dihydro-2H-indol-2-one
Smiles: OCCN/C=C/1\C(=O)Nc2c1cccc2
STK845176
Synonyms: 4-(1H-benzimidazol-2-ylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine
Smiles: Cc1c(C)sc2c1c(ncn2)Sc1nc2c([nH]1)cccc2
STK556105
Synonyms: 5-bromo-1-(diphenylmethyl)-3-nitro-1H-1,2,4-triazole
Smiles: [O-][N+](=O)c1nn(c(n1)Br)C(c1ccccc1)c1ccccc1
STK845177
Synonyms: 2-[(4-chlorophenoxy)methyl]-5-[(4-methoxybenzyl)amino]-1,3-oxazole-4-carbonitrile
Smiles: N#Cc1nc(oc1NCc1ccc(cc1)OC)COc1ccc(cc1)Cl
STK845179
Synonyms: 3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-ylmorpholine-4-carboxylate
Smiles: COc1ccccc1c1c(=O)c2ccc(cc2oc1C(F)(F)F)OC(=O)N1CCOCC1
STK556117
Synonyms: 2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3,4-dimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CSc2nnc(n2C)c2ccc(cc2)Br)ccc1OC
STK556118
Synonyms: (3aR,6aS)-3,5-bis(2,4-dichlorophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: Clc1ccc(c(c1)Cl)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1Cl)Cl
STK556121
Synonyms: 2-[(2-hydroxyethyl)amino]-4-(4-methylphenyl)-4-oxobutanoicacid
Smiles: OCCNC(C(=O)O)CC(=O)c1ccc(cc1)C
STK556123
Synonyms: 2-{[4-amino-6-(cyclohexylamino)-5-nitropyrimidin-2-yl]amino}ethanol
Smiles: OCCNc1nc(NC2CCCCC2)c(c(n1)N)[N+](=O)[O-]
STK556126
Synonyms: 4-(4-ethoxybenzyl)-1,3,5-triazin-2-amine
Smiles: CCOc1ccc(cc1)Cc1ncnc(n1)N
STK845182
Synonyms: 2-[(2-methylphenoxy)methyl]-5-[(1-phenylethyl)amino]-1,3-oxazole-4-carbonitrile
Smiles: N#Cc1nc(oc1NC(c1ccccc1)C)COc1ccccc1C
STK845183
Synonyms: N,N-bis(cyanomethyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
Smiles: N#CCN(C(=O)C12CCC(C2(C)C)(C(=O)O1)C)CC#N
STK556131
Synonyms: 2-chloro-N-(3,4-dimethylphenyl)-5-nitropyrimidine-4,6-diamine
Smiles: Clc1nc(Nc2ccc(c(c2)C)C)c(c(n1)N)[N+](=O)[O-]
STK556134
Synonyms: 4-methyl-1H-imidazol-1-ol3-oxide
Smiles: On1c[n+](c(c1)C)[O-]
STK556137
Synonyms: 2-amino-3-bromonaphthalene-1,4-dione
Smiles: NC1=C(Br)C(=O)c2c(C1=O)cccc2
STK556140
Synonyms: 6-(azepan-1-yl)-N~2~-(4-chlorophenyl)-5-nitropyrimidine-2,4-diamine
Smiles: Clc1ccc(cc1)Nc1nc(N)c(c(n1)N1CCCCCC1)[N+](=O)[O-]
STK556150
Synonyms: N-[(2E)-1-butyl-3-cyano-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-2,6-difluorobenzamide
Smiles: CCCCn1/c(=N/C(=O)c2c(F)cccc2F)/c(C#N)cc2c1nc1c(C)cccn1c2=O
STK556152
Synonyms: 2-{4-[(2-hydroxyethyl)(methyl)amino]quinazolin-2-yl}phenol
Smiles: OCCN(c1nc(nc2c1cccc2)c1ccccc1O)C
STK556153
Synonyms: ethyl7-[(2-chloro-6-fluorobenzyl)oxy]-3-(4-methoxyphenyl)-4-oxo-4H-chromene-2-carboxylate
Smiles: CCOC(=O)c1oc2cc(OCc3c(F)cccc3Cl)ccc2c(=O)c1c1ccc(cc1)OC
STK556157
Synonyms: 4-(3,5-dimethylpiperidin-1-yl)-7-methoxy-5H-pyrimido[5,4-b]indole
Smiles: COc1ccc2c(c1)[nH]c1c2ncnc1N1CC(C)CC(C1)C
STK556160
Synonyms: 6-(4-methylpiperidin-1-yl)-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4-diamine
Smiles: CC1CCN(CC1)c1nc(NCCc2ccccc2)nc(c1[N+](=O)[O-])N
STK845189
Synonyms: N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-(2-methoxyphenyl)acetamide
Smiles: COc1ccccc1CC(=O)NCC1OCCc2c1cccc2
STK556164
Synonyms: 3-(pyridin-2-yl)-6-(thiophen-2-ylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: c1ccc(nc1)c1nnc2n1nc(s2)Cc1cccs1
STK556170
Synonyms: 5-(3,4-dimethoxybenzyl)-1,3-dimethyl-5-{[(4-methylphenyl)amino]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1cc(ccc1OC)CC1(CNc2ccc(cc2)C)C(=O)N(C)C(=O)N(C1=O)C
STK556175
Synonyms: 5-(2,4-dimethylphenyl)-3-(2-hydroxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Cc1ccc(c(c1)C)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccccc1O
STK845190
Synonyms: {[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetonitrile
Smiles: N#CCOc1cc2oc(C)c(c(=O)c2cc1CC)c1ccc2c(c1)OCCCO2
STK556176
Synonyms: 6-(azepan-1-yl)-2-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCCCC1)N1CCC(CC1)Cc1ccccc1
STK556178
Synonyms: 1-(morpholin-4-yl)-3-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Smiles: N#Cc1c(SCC(=O)c2ccc(cc2)[N+](=O)[O-])nc(c2c1CCCC2)N1CCOCC1
STK556184
Synonyms: 5-(4-fluorophenyl)-3-(3-hydroxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Fc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cccc(c1)O
STK556188
Synonyms: 2-(4-benzylpiperidin-1-yl)-N-(3,4-dimethylphenyl)-5-nitropyrimidine-4,6-diamine
Smiles: Cc1cc(ccc1C)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCC(CC1)Cc1ccccc1
STK556192
Synonyms: 2-[(2-methoxyphenoxy)methyl]-5-[(1-phenylethyl)amino]-1,3-oxazole-4-carbonitrile
Smiles: N#Cc1nc(oc1NC(c1ccccc1)C)COc1ccccc1OC
STK556193
Synonyms: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propyl-4H-chromen-7-yl4-chlorobenzoate
Smiles: CCCc1cc2c(cc1OC(=O)c1ccc(cc1)Cl)occ(c2=O)c1ccc2c(c1)OCCO2
STK556194
Synonyms: 3-(3-ethoxyphenyl)-6-(4-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nnc2n1nc(s2)c1ccc(cc1)C
STK556197
Synonyms: propan-2-yl5-[(diphenylcarbamoyl)oxy]-2-methyl-1-benzofuran-3-carboxylate
Smiles: CC(OC(=O)c1c(C)oc2c1cc(cc2)OC(=O)N(c1ccccc1)c1ccccc1)C
STK556199
Synonyms: N-[(2Z)-3-cyano-10-methyl-1-(2-methylpropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-3-methylbenzamide
Smiles: N#Cc1cc2c(n(/c/1=N\C(=O)c1cccc(c1)C)CC(C)C)nc1n(c2=O)cccc1C
STK556204
Synonyms: 3-cyclohexyl-6-(naphthalen-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: C1CCC(CC1)c1nnc2n1N=C(CS2)c1ccc2c(c1)cccc2
STK556206
Synonyms: N-[(2E)-3-cyano-10-methyl-1-(2-methylpropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-3,4-dimethylbenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccc(c(c1)C)C)CC(C)C)nc1n(c2=O)cccc1C
STK556210
Synonyms: 1-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethanol
Smiles: COc1ccc2c(c1)c(C(CN1CCN(CC1)C)O)c(n2Cc1ccccc1)C
STK845196
Synonyms: 4-{(E)-[(5-amino-1H-tetrazol-1-yl)imino]methyl}benzene-1,3-diol
Smiles: Oc1ccc(c(c1)O)/C=N/n1nnnc1N
STK845198
Synonyms: N~4~-(3,4-dimethylphenyl)-N~2~-(furan-2-ylmethyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1Nc1ccc(c(c1)C)C)NCc1ccco1
STK556224
Synonyms: ethyl3-(1,3-benzothiazol-2-yl)-7-[(diphenylcarbamoyl)oxy]-4-oxo-4H-chromene-2-carboxylate
Smiles: CCOC(=O)c1oc2cc(ccc2c(=O)c1c1nc2c(s1)cccc2)OC(=O)N(c1ccccc1)c1ccccc1
STK845199
Synonyms: N~4~-(4-ethoxyphenyl)-N~2~-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: CCOc1ccc(cc1)Nc1nc(Nc2ccc(cc2)OC)nc(c1[N+](=O)[O-])N
STK556227
Synonyms: methylN-[2-(4-propoxyphenyl)quinazolin-4-yl]-beta-alaninate
Smiles: CCCOc1ccc(cc1)c1nc(NCCC(=O)OC)c2c(n1)cccc2
STK845201
Synonyms: ethyl6-bromo-2-methyl-5-{[(3,4,5-trimethoxyphenyl)carbonyl]oxy}-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OC(=O)c1cc(OC)c(c(c1)OC)OC)c(c2)Br
STK556229
Synonyms: 3-butyl-5-(4-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCCCC1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1
STK556230
Synonyms: 6-(4-fluorophenyl)-3-(3-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Fc1ccc(cc1)C1=Nn2c(SC1)nnc2c1cccc(c1)C
STK556233
Synonyms: N-[(2E)-1-butyl-3-cyano-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]pyridine-4-carboxamide
Smiles: CCCCn1/c(=N/C(=O)c2ccncc2)/c(C#N)cc2c1nc1c(C)cccn1c2=O
STK845204
Synonyms: N,N-bis(2-cyanoethyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
Smiles: N#CCCN(C(=O)C12CCC(C2(C)C)(C(=O)O1)C)CCC#N
STK556245
Synonyms: 3-chloro-N-[(2E)-3-cyano-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]benzamide
Smiles: COCCCn1/c(=N/C(=O)c2cccc(c2)Cl)/c(C#N)cc2c1nc1c(C)cccn1c2=O
STK845205
Synonyms: 1-cyclohexyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridine
Smiles: Cc1cc(C)c2c(n1)n(nc2C)C1CCCCC1
STK556248
Synonyms: 2-(4-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carbonitrile
Smiles: N#CC1(CCC(=O)N1c1ccc(cc1)C)c1ccc(cc1)Br
STK556255
Synonyms: 7-[(2,6-dichlorobenzyl)oxy]-3-phenyl-2-(trifluoromethyl)-4H-chromen-4-one
Smiles: Clc1cccc(c1COc1ccc2c(c1)oc(c(c2=O)c1ccccc1)C(F)(F)F)Cl
STK556257
Synonyms: 5-(2-methylphenyl)-3-(2-methylpropyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CC(CC1N(OC2C1C(=O)N(C2=O)c1ccccc1C)c1ccccc1)C
STK556261
Synonyms: N-[(2E)-3-cyano-1-(furan-2-ylmethyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]pyridine-3-carboxamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1cccnc1)Cc1ccco1)nc1n(c2=O)cccc1C
STK556264
Synonyms: methyl(8S,8aR,11aS,11bS)-10-(3-chloro-4-fluorophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylate
Smiles: COC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1ccc(c(c1)Cl)F
STK556266
Synonyms: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-[(4-fluorobenzyl)oxy]-2-methyl-6-propyl-4H-chromen-4-one
Smiles: CCCc1cc2c(cc1OCc1ccc(cc1)F)oc(c(c2=O)c1ccc2c(c1)OCCCO2)C
STK556272
Synonyms: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-[(E)-(3-nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(Cn1nc(cc1C)C)N/N=C/c1cccc(c1)[N+](=O)[O-]
STK845207
Synonyms: N~4~-(2-methoxyphenyl)-5-nitro-N~2~-phenylpyrimidine-2,4,6-triamine
Smiles: COc1ccccc1Nc1nc(Nc2ccccc2)nc(c1[N+](=O)[O-])N
STK556274
Synonyms: N-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine
Smiles: COc1ccccc1Nc1nc(nc(c1[N+](=O)[O-])N)N1CCC(CC1)C
STK556279
Synonyms: 2-[(3-ethyl-8,8-dimethyl-4-oxo-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nc2nc3CC(C)(C)OCc3cc2c(=O)n1CC
STK845208
Synonyms: N-(3,4-dimethylphenyl)-5-nitro-2-(piperidin-1-yl)pyrimidine-4,6-diamine
Smiles: [O-][N+](=O)c1c(Nc2ccc(c(c2)C)C)nc(nc1N)N1CCCCC1
STK556283
Synonyms: 6-(4-benzylpiperidin-1-yl)-2-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
Smiles: CC1CCN(CC1)c1nc(N2CCC(CC2)Cc2ccccc2)c(c(n1)N)[N+](=O)[O-]
STK556285
Synonyms: 5-chloro-6,7,8,9-tetrahydro[1]benzothieno[3,2-e]tetrazolo[1,5-a]pyrimidine
Smiles: Clc1nc2nnnn2c2c1c1CCCCc1s2
STK556288
Synonyms: 2-(diethylamino)ethyl5-methoxy-1,2-dimethyl-1H-indole-3-carboxylate
Smiles: CCN(CCOC(=O)c1c(C)n(c2c1cc(OC)cc2)C)CC
STK556289
Synonyms: 4-(4-benzylpiperazin-1-yl)-7-methoxy-5H-pyrimido[5,4-b]indole
Smiles: COc1ccc2c(c1)[nH]c1c2ncnc1N1CCN(CC1)Cc1ccccc1
STK845211
Synonyms: (2E)-2-(1,3-benzothiazol-2-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-enenitrile
Smiles: N#C/C(=C\N1CCN(CC1)c1ccc(cc1)F)/c1nc2c(s1)cccc2
STK556290
Synonyms: N~4~-(3-chlorophenyl)-N~2~-(4-ethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: CCOc1ccc(cc1)Nc1nc(N)c(c(n1)Nc1cccc(c1)Cl)[N+](=O)[O-]
STK556294
Synonyms: 2-(4-bromophenyl)-5-oxo-1-phenylpyrrolidine-2-carbonitrile
Smiles: N#CC1(CCC(=O)N1c1ccccc1)c1ccc(cc1)Br
STK845213
Synonyms: 4-(4-phenyl-1H-pyrazol-3-yl)benzene-1,3-diol
Smiles: Oc1ccc(c(c1)O)c1n[nH]cc1c1ccccc1
STK556297
Synonyms: ethyl3-(1,3-benzothiazol-2-yl)-4-oxo-7-{[(2E)-3-phenylprop-2-enoyl]oxy}-4H-chromene-2-carboxylate
Smiles: CCOC(=O)c1oc2cc(ccc2c(=O)c1c1nc2c(s1)cccc2)OC(=O)/C=C/c1ccccc1
STK556299
Synonyms: 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-9-(propan-2-yl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CC(N1CCc2c(C1)sc1c2c2nc(nn2cn1)CSc1nc2c(o1)cccc2)C
STK556306
Synonyms: 6-tert-butyl-3-(2-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Cc1ccccc1c1nnc2n1N=C(CS2)C(C)(C)C
STK845216
Synonyms: (2E)-2-(1,3-benzoxazol-2-yl)-3-(4-chlorophenyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc(cc1)Cl)/c1nc2c(o1)cccc2
STK556313
Synonyms: 2-methoxy-6-[4-(pyrrolidin-1-yl)quinazolin-2-yl]phenol
Smiles: COc1cccc(c1O)c1nc2ccccc2c(n1)N1CCCC1
STK845218
Synonyms: 2-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-4-fluorophenol
Smiles: COc1cc(ccc1OC)c1[nH]nc(c1)c1cc(F)ccc1O
STK556316
Synonyms: 5-(2-chlorophenyl)-3-(3,5-dichloro-2-ethoxyphenyl)-4,5-dihydro-1H-pyrazole
Smiles: CCOc1c(Cl)cc(cc1C1=NNC(C1)c1ccccc1Cl)Cl
STK556318
Synonyms: N~4~-(3-chlorophenyl)-5-nitro-N~2~-(prop-2-en-1-yl)pyrimidine-2,4,6-triamine
Smiles: C=CCNc1nc(Nc2cccc(c2)Cl)c(c(n1)N)[N+](=O)[O-]
STK556333
Synonyms: N'-[(1E)-1-(3-methoxyphenyl)ethylidene]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
Smiles: COc1cccc(c1)/C(=N/NC(=O)CSc1nncn1C)/C
STK556335
Synonyms: N~2~-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine
Smiles: CC(CCNc1nc(N2CCN(CC2)C)c(c(n1)N)[N+](=O)[O-])C
STK556336
Synonyms: 5-nitro-2,6-di(pyrrolidin-1-yl)pyrimidin-4-amine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCC1)N1CCCC1
STK556337
Synonyms: 2-chloro-5-nitro-N-phenylpyrimidine-4,6-diamine
Smiles: Clc1nc(Nc2ccccc2)c(c(n1)N)[N+](=O)[O-]
STK845221
Synonyms: 2-{(E)-[(5-amino-1H-tetrazol-1-yl)imino]methyl}phenol
Smiles: Oc1ccccc1/C=N/n1nnnc1N
STK556351
Synonyms: 1,3-dimethyl-5-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-(trifluoromethyl)-5,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-2,4,6(3H)-trione
Smiles: Cc1[nH]n(c(=O)c1C1(C(=O)Nc2c1c(=O)n(c(=O)n2C)C)C(F)(F)F)c1ccccc1
STK556353
Synonyms: (3E)-3-(hydroxyimino)-4,7,7-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)bicyclo[2.2.1]heptane-1-carboxamide
Smiles: O/N=C/1\CC2(C(C1(C)CC2)(C)C)C(=O)NC1CC(C)(C)NC(C1)(C)C
STK556357
Synonyms: 3-methoxy-2-(methylsulfanyl)quinazolin-4(3H)-one
Smiles: CSc1nc2ccccc2c(=O)n1OC
STK556360
Synonyms: methyl3-[(benzylcarbamothioyl)amino]-6-methoxy-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=S)NCc1ccccc1)ccc(c2)OC
STK556370
Synonyms: ethyl(2Z)-1-(3-methoxypropyl)-10-methyl-5-oxo-2-[(thiophen-2-ylcarbonyl)imino]-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Smiles: COCCCn1/c(=N\C(=O)c2cccs2)/c(cc2c1nc1c(C)cccn1c2=O)C(=O)OCC
STK556372
Synonyms: 4-[3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol
Smiles: COc1ccccc1c1nnc2n1N=C(CS2)c1ccc(c(c1)O)O
STK845226
Synonyms: 2-[(4-fluorophenoxy)methyl]-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
Smiles: N#Cc1nc(oc1N1CCN(CC1)c1ccc(cc1)OC)COc1ccc(cc1)F
STK556376
Synonyms: 2-{[3-(4-ethoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)N)nc2c(c1=O)c1CCN(Cc1s2)C
STK556381
Synonyms: 2-[(1,3-dioxolan-2-ylmethyl)(methyl)amino]-1-(8-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethanone
Smiles: CN(CC(=O)N1CCc2c(C1)c1cc(C)ccc1[nH]2)CC1OCCO1
STK556389
Synonyms: (4Z)-4-(4-methoxy-3-nitrobenzylidene)-2-(thiophen-2-yl)-1,3-oxazol-5(4H)-one
Smiles: COc1ccc(cc1[N+](=O)[O-])/C=C/1\N=C(OC1=O)c1cccs1
STK845232
Synonyms: 3-(4-methyl-1,3-thiazol-2-yl)-2-oxo-2H-chromen-7-yl2,2-dimethylpropanoate
Smiles: Cc1csc(n1)c1cc2ccc(cc2oc1=O)OC(=O)C(C)(C)C
STK556393
Synonyms: 2-[(3-methylbutyl)sulfanyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine
Smiles: CC(CCSc1nc(N)c2c(n1)nc1c(c2)CCCC1)C
STK556402
Synonyms: 2-(4-benzylpiperidin-1-yl)-N-cyclohexyl-5-nitropyrimidine-4,6-diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1NC1CCCCC1)N1CCC(CC1)Cc1ccccc1
STK556404
Synonyms: 2-[2-(benzyloxy)phenyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-2-carbonitrile
Smiles: COc1ccccc1N1C(=O)CCC1(C#N)c1ccccc1OCc1ccccc1
STK556405
Synonyms: 4-(ethylsulfanyl)-6,6-dimethyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CCCSc1nc(SCC)c2c(n1)sc1c2CC(OC1)(C)C
STK556409
Synonyms: (3aR,6aS)-5-(4-fluorophenyl)-3-(3-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: Fc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C(=NO2)c1cccc(c1)[N+](=O)[O-]
STK556412
Synonyms: 5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-amine
Smiles: Nc1nnc2c(n1)CCCC2
STK556414
Synonyms: 2-[2-({4-amino-6-[(2-methoxyphenyl)amino]-5-nitropyrimidin-2-yl}amino)ethoxy]ethanol
Smiles: OCCOCCNc1nc(N)c(c(n1)Nc1ccccc1OC)[N+](=O)[O-]
STK556417
Synonyms: N-[(2E)-3-cyano-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]pyridine-3-carboxamide
Smiles: COCCCn1/c(=N/C(=O)c2cccnc2)/c(C#N)cc2c1nc1c(C)cccn1c2=O
STK556421
Synonyms: 1-(2-{6-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-3-ethyl-1-methylthiourea
Smiles: CCNC(=S)N(CCc1cc2OCOc2c(c1C=C1C(=O)N(C)C(=O)N(C1=O)C)OC)C
STK556424
Synonyms: N~4~-(4-ethoxyphenyl)-N~2~,N~2~-diethyl-5-nitropyrimidine-2,4,6-triamine
Smiles: CCOc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N(CC)CC
STK556426
Synonyms: 3-chloro-N-[(2E)-3-cyano-10-methyl-5-oxo-1-(propan-2-yl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]benzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1cccc(c1)Cl)C(C)C)nc1n(c2=O)cccc1C
STK845236
Synonyms: (2E)-2-(1,3-benzoxazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cccc(c1)[N+](=O)[O-])/c1nc2c(o1)cccc2
STK556427
Synonyms: 6-cyclohexyl-3-(3-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: COc1cccc(c1)c1nnc2n1nc(s2)C1CCCCC1
STK556428
Synonyms: N'-[(E)-{3-ethoxy-4-[(3-methylbenzyl)oxy]phenyl}methylidene]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
Smiles: CCOc1cc(/C=N/NC(=O)CSc2nncn2C)ccc1OCc1cccc(c1)C
STK556430
Synonyms: 7-(4-chlorobenzyl)-8-[(2E)-2-(2-chlorobenzylidene)hydrazinyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)Cn1c(N/N=C/c2ccccc2Cl)nc2c1c(=O)n(c(=O)n2C)C
STK556433
Synonyms: 2-[(4-bromophenoxy)methyl]-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
Smiles: N#Cc1nc(oc1N1CCN(CC1)c1ccc(cc1)OC)COc1ccc(cc1)Br
STK556437
Synonyms: 2-(benzylsulfanyl)-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
Smiles: c1ccc(cc1)CSc1nc(NCc2ccco2)c2c(n1)sc1c2CCCC1
STK556439
Synonyms: N~2~-(4-methylbenzyl)-N~4~-(3-methylphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: Cc1ccc(cc1)CNc1nc(N)c(c(n1)Nc1cccc(c1)C)[N+](=O)[O-]
STK556442
Synonyms: 3-hydroxy-5-(3-nitrophenyl)-4-(phenylcarbonyl)furan-2(5H)-one
Smiles: O=C1OC(C(=C1O)C(=O)c1ccccc1)c1cccc(c1)[N+](=O)[O-]
STK556445
Synonyms: N~2~,N~2~-diethyl-5-nitro-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine
Smiles: CCN(c1nc(N2CCCC2)c(c(n1)N)[N+](=O)[O-])CC
STK556448
Synonyms: (2E)-2-(1,3-benzoxazol-2-yl)-3-(thiophen-2-yl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cccs1)/c1nc2c(o1)cccc2
STK845238
Synonyms: (2E)-1-(5-bromo-2-hydroxyphenyl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
Smiles: COc1cc(OC)ccc1/C=C/C(=O)c1cc(Br)ccc1O
STK845239
Synonyms: 4-chloro-2-[5-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
Smiles: Clc1ccc(c(c1)C1=NNC(C1)c1cccnc1)O
STK556453
Synonyms: 2-{[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CSc2nnc(n2C)c2cccc(c2)[N+](=O)[O-])cc(c1OC)OC
STK556454
Synonyms: 7-(2-fluorophenyl)-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
Smiles: Fc1ccc(cc1)C1=CC(n2c(N1)nnn2)c1ccccc1F
STK556455
Synonyms: N-[(2E)-3-cyano-10-methyl-5-oxo-1-(propan-2-yl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-2-fluorobenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccccc1F)C(C)C)nc1n(c2=O)cccc1C
STK556459
Synonyms: ethyl(2Z,3E)-2-(hydroxyimino)-3-(2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazinylidene)butanoate
Smiles: CCOC(=O)/C(=N\O)/C(=N/NC(=O)CSc1nncn1C)/C
STK556461
Synonyms: 2-(morpholin-4-yl)-5-nitro-N-phenylpyrimidine-4,6-diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1Nc1ccccc1)N1CCOCC1
STK556463
Synonyms: 4-[4-(3-chlorophenyl)piperazin-1-yl]-7-methoxy-5H-pyrimido[5,4-b]indole
Smiles: COc1ccc2c(c1)[nH]c1c2ncnc1N1CCN(CC1)c1cccc(c1)Cl
STK556467
Synonyms: N'-(furan-2-ylcarbonyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbohydrazide
Smiles: O=C(C12CCC(C2(C)C)(C(=O)O1)C)NNC(=O)c1ccco1
STK556468
Synonyms: N~2~-benzyl-N~4~-(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: Fc1cccc(c1)Nc1nc(NCc2ccccc2)nc(c1[N+](=O)[O-])N
STK556480
Synonyms: 3-(3-chloro-4-propoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
Smiles: CCCOc1ccc(cc1Cl)c1csc2=NCCn12
STK845245
Synonyms: 3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-ylmorpholine-4-carboxylate
Smiles: Clc1ccc(cc1)c1c(C)oc2c(c1=O)ccc(c2)OC(=O)N1CCOCC1
STK556486
Synonyms: (3aR,6aS)-3-(4-bromophenyl)-5-(3-chloro-4-fluorophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: Brc1ccc(cc1)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(c(c1)Cl)F
STK845247
Synonyms: 3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-ylacetate
Smiles: COc1cccc(c1)Oc1c(=O)c2ccc(cc2oc1C(F)(F)F)OC(=O)C
STK845250
Synonyms: 7-methyl-N-(pyridin-4-ylmethyl)naphthalene-2-sulfonamide
Smiles: Cc1ccc2c(c1)cc(cc2)S(=O)(=O)NCc1ccncc1
STK556499
Synonyms: 6-(azepan-1-yl)-N~2~-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4-diamine
Smiles: Cc1cc(ccc1C)Nc1nc(N)c(c(n1)N1CCCCCC1)[N+](=O)[O-]
STK556505
Synonyms: 5,5'-[(3-hydroxy-4-methoxyphenyl)methanediyl]bis[6-hydroxy-1-methyl-2-(methylsulfanyl)pyrimidin-4(1H)-one]
Smiles: COc1ccc(cc1O)C(c1c(=O)nc(n(c1O)C)SC)c1c(=O)nc(n(c1O)C)SC
STK556506
Synonyms: 3-{[(E)-(2-chlorophenyl)methylidene]amino}-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)/N=C/c1ccccc1Cl
STK556509
Synonyms: (3aR,6aS)-5-(4-acetylphenyl)-3-(2,4-dichlorophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: Clc1ccc(c(c1)Cl)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)C(=O)C
STK845251
Synonyms: 2,4-dichloro-6-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
Smiles: Clc1cc(Cl)c(c(c1)C1=NNC(C1)c1ccccc1F)O
STK845253
Synonyms: 3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-ylmethanesulfonate
Smiles: COc1ccccc1c1c(=O)c2ccc(cc2oc1C(F)(F)F)OS(=O)(=O)C
STK845254
Synonyms: N~4~-(2-methoxyphenyl)-N~2~,N~2~-dimethyl-5-nitropyrimidine-2,4,6-triamine
Smiles: COc1ccccc1Nc1nc(nc(c1[N+](=O)[O-])N)N(C)C
STK845255
Synonyms: N-[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide
Smiles: COc1ccc(cc1)N1C(=O)NC(C1=O)(NC(=O)C(C)(C)C)C(F)(F)F
STK556525
Synonyms: 3-phenyl-3-({(2Z)-3-phenyl-2-[(phenylcarbonyl)amino]prop-2-enoyl}amino)propanoicacid
Smiles: OC(=O)CC(c1ccccc1)NC(=O)/C(=C/c1ccccc1)/NC(=O)c1ccccc1
STK556526
Synonyms: N~2~-benzyl-6-(4-benzylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCC(CC1)Cc1ccccc1)NCc1ccccc1
STK556530
Synonyms: 6,7-dioxo-3,4-dihydro-2H,6H,7H-chromeno[2',3':4,5]pyrimido[2,1-b][1,3]thiazine-9-carbaldehyde
Smiles: O=Cc1ccc2c(c1)c(=O)c1c(o2)nc2n(c1=O)CCCS2
STK556531
Synonyms: 2-[(4-bromophenoxy)methyl]-5-[(1-phenylethyl)amino]-1,3-oxazole-4-carbonitrile
Smiles: N#Cc1nc(oc1NC(c1ccccc1)C)COc1ccc(cc1)Br
STK556532
Synonyms: 2-(3,5-dimethylpiperidin-1-yl)-5-nitro-N-phenylpyrimidine-4,6-diamine
Smiles: CC1CC(C)CN(C1)c1nc(Nc2ccccc2)c(c(n1)N)[N+](=O)[O-]
STK556534
Synonyms: methyl4-({7-[(2-chloro-6-fluorobenzyl)oxy]-4-oxo-4H-chromen-3-yl}oxy)benzoate
Smiles: COC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OCc1c(F)cccc1Cl
STK556536
Synonyms: (2Z)-2-cyano-N-(3-methylphenyl)-2-[3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]ethanamide
Smiles: N#C/C(=C\1/SCC(=O)N1c1ccccc1C)/C(=O)Nc1cccc(c1)C
STK556537
Synonyms: 4-[(3aR,6aS)-3-(2,4-dichlorophenyl)-4,6-dioxo-3a,4,6,6a-tetrahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C(=NO2)c1ccc(cc1Cl)Cl
STK556538
Synonyms: 2-(4-{[3-(dimethylamino)propyl]amino}quinazolin-2-yl)-6-methoxyphenol
Smiles: COc1cccc(c1O)c1nc(NCCCN(C)C)c2c(n1)cccc2
STK556540
Synonyms: 5-(2-nitrophenyl)-2-phenyl-3-propyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCCC1N(OC2C1C(=O)N(C2=O)c1ccccc1[N+](=O)[O-])c1ccccc1
STK845260
Synonyms: (2E)-3-(2,4-dimethoxyphenyl)-1-(5-fluoro-2-hydroxyphenyl)prop-2-en-1-one
Smiles: COc1cc(OC)ccc1/C=C/C(=O)c1cc(F)ccc1O
STK556560
Synonyms: N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-hydroxyheptanamide
Smiles: CCCCCCC(=O)N(C1CC(=O)N(C1=O)c1ccc(cc1)Br)O
STK556564
Synonyms: 2-methoxy-6-[4-(propan-2-ylamino)quinazolin-2-yl]phenol
Smiles: COc1cccc(c1O)c1nc(NC(C)C)c2c(n1)cccc2
STK845264
Synonyms: 3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl2-methylpropanoate
Smiles: O=C(C(C)C)Oc1ccc2c(c1)oc(c(c2=O)c1nc2c(s1)cccc2)C
STK556571
Synonyms: 3-{4-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl}pyridine
Smiles: O=S(=O)(c1cccc(c1)c1csc(n1)c1cccnc1)N1CCCC1
STK556576
Synonyms: 2-(2,6-dimethylmorpholin-4-yl)-5-nitro-6-(piperidin-1-yl)pyrimidin-4-amine
Smiles: CC1OC(C)CN(C1)c1nc(N)c(c(n1)N1CCCCC1)[N+](=O)[O-]
STK556579
Synonyms: N,N-diethyl-4-[3-(2-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
Smiles: CCN(c1ccc(cc1)c1nn2c(s1)nnc2c1ccccc1C)CC
STK556582
Synonyms: 6-tert-butyl-3-(3-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CCOc1cccc(c1)c1nnc2n1N=C(CS2)C(C)(C)C
STK556585
Synonyms: 6-tert-butyl-3-(pyridin-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CC(C1=Nn2c(SC1)nnc2c1ccccn1)(C)C
STK556588
Synonyms: 4-(4-chlorophenyl)-7-methyl-1-(propylsulfanyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CCCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)Cl)CC(CC3)C
STK556589
Synonyms: 3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl4-methylbenzoate
Smiles: Cc1ccc(cc1)C(=O)Oc1ccc2c(c1)oc(=O)c(c2)c1nc2c(s1)cccc2
STK556593
Synonyms: N~4~-benzyl-N~2~-methyl-5-nitropyrimidine-2,4,6-triamine
Smiles: CNc1nc(NCc2ccccc2)c(c(n1)N)[N+](=O)[O-]
STK845267
Synonyms: 4-chloro-2-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]phenol
Smiles: Clc1ccc(cc1)c1[nH]nc(c1)c1cc(Cl)ccc1O
STK556596
Synonyms: N~2~-(2-fluorophenyl)-N~4~-(3-methylphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: Cc1cccc(c1)Nc1nc(Nc2ccccc2F)nc(c1[N+](=O)[O-])N
STK556602
Synonyms: 5-(2,6-dimethylphenyl)-2-phenyl-3-(pyridin-4-yl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Cc1cccc(c1N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccncc1)C
STK556607
Synonyms: 5-benzyl-3-(4-chlorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Clc1ccc(cc1)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)Cc1ccccc1
STK556608
Synonyms: methyl3-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)/C=C/c1ccc(c(c1)OC)OC)cccc2
STK556611
Synonyms: 4-(piperidin-1-yl)-2-(pyridin-2-yl)quinazoline
Smiles: C1CCN(CC1)c1nc(nc2c1cccc2)c1ccccn1
STK556614
Synonyms: 2-{4-[(pyridin-3-ylmethyl)amino]quinazolin-2-yl}phenol
Smiles: Oc1ccccc1c1nc(NCc2cccnc2)c2c(n1)cccc2
STK556616
Synonyms: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[(2-fluorobenzyl)oxy]-2-methyl-6-propyl-4H-chromen-4-one
Smiles: CCCc1cc2c(cc1OCc1ccccc1F)oc(c(c2=O)c1ccc2c(c1)OCCO2)C
STK556620
Synonyms: 6-(3,4-dimethoxyphenyl)-3-(pyridin-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: COc1ccc(cc1OC)C1=Nn2c(SC1)nnc2c1ccccn1
STK556623
Synonyms: (2E)-N-[(2E)-3-cyano-1-(furan-2-ylmethyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-3-phenylprop-2-enamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)/C=C/c1ccccc1)Cc1ccco1)nc1n(c2=O)cccc1C
STK556625
Synonyms: 2-{[4-amino-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-2-yl]amino}ethanol
Smiles: OCCNc1nc(N2CCN(CC2)CC)c(c(n1)N)[N+](=O)[O-]
STK845273
Synonyms: (2E)-2-(1,3-benzoxazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cc(OC)c(c(c1)OC)OC)/c1nc2c(o1)cccc2
STK845274
Synonyms: 3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl2-methylpropanoate
Smiles: O=C(C(C)C)Oc1ccc2c(c1)oc(=O)c(c2)c1nc2c(s1)cccc2
STK556629
Synonyms: ethyl(2Z)-1-(3-methoxypropyl)-10-methyl-5-oxo-2-[(phenylcarbonyl)imino]-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Smiles: COCCCn1/c(=N\C(=O)c2ccccc2)/c(cc2c1nc1c(C)cccn1c2=O)C(=O)OCC
STK556634
Synonyms: ethyl7-[(2,6-dichlorobenzyl)oxy]-3-(4-methoxyphenyl)-4-oxo-4H-chromene-2-carboxylate
Smiles: CCOC(=O)c1oc2cc(OCc3c(Cl)cccc3Cl)ccc2c(=O)c1c1ccc(cc1)OC
STK556637
Synonyms: (4aR,4bS,7aR,8S)-8-[(4-fluorophenyl)carbonyl]-6-(naphthalen-1-yl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: Fc1ccc(cc1)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc2c1cccc2
STK556639
Synonyms: N~2~-benzyl-N~4~-(3-chlorophenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: Clc1cccc(c1)Nc1nc(NCc2ccccc2)nc(c1[N+](=O)[O-])N
STK845277
Synonyms: N-(3,4-dimethylphenyl)-5-nitro-2-(pyrrolidin-1-yl)pyrimidine-4,6-diamine
Smiles: [O-][N+](=O)c1c(Nc2ccc(c(c2)C)C)nc(nc1N)N1CCCC1
STK556640
Synonyms: N-[(2E)-1-butyl-3-cyano-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-3-chlorobenzamide
Smiles: CCCCn1/c(=N/C(=O)c2cccc(c2)Cl)/c(C#N)cc2c1nc1c(C)cccn1c2=O
STK556643
Synonyms: N~1~-[(E)-(4-fluorophenyl)methylidene]-1H-tetrazole-1,5-diamine
Smiles: Fc1ccc(cc1)/C=N/n1nnnc1N
STK556644
Synonyms: N-(2-methoxyethyl)-5-(piperidin-1-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine
Smiles: COCCNc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCCCC1
STK845279
Synonyms: (2E)-2-(1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)C)/c1nc2c(s1)cccc2
STK556652
Synonyms: N~2~-benzyl-N~4~-(furan-2-ylmethyl)-N~2~-methyl-5-nitropyrimidine-2,4,6-triamine
Smiles: CN(c1nc(NCc2ccco2)c(c(n1)N)[N+](=O)[O-])Cc1ccccc1
STK556655
Synonyms: N-[2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]ethane-1,2-diamine
Smiles: NCCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1
STK556660
Synonyms: 1-[1-(diphenylmethyl)-3-nitro-1H-1,2,4-triazol-5-yl]piperidine
Smiles: [O-][N+](=O)c1nn(c(n1)N1CCCCC1)C(c1ccccc1)c1ccccc1
STK845283
Synonyms: 2-(4-benzylpiperidin-1-yl)-5-nitro-N-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,6-diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1NCC1CCCO1)N1CCC(CC1)Cc1ccccc1
STK556664
Synonyms: 3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl(2E)-3-phenylprop-2-enoate
Smiles: O=C(Oc1ccc2c(c1)oc(=O)c(c2)c1nc2c(s1)cccc2)/C=C/c1ccccc1
STK556665
Synonyms: 5-(2,4-dimethylphenyl)-2-phenyl-3-(pyridin-4-yl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Cc1ccc(c(c1)C)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccncc1
STK556666
Synonyms: N~2~-(4-chlorobenzyl)-5-nitro-N~4~-(tetrahydrofuran-2-ylmethyl)pyrimidine-2,4,6-triamine
Smiles: Clc1ccc(cc1)CNc1nc(N)c(c(n1)NCC1CCCO1)[N+](=O)[O-]
STK556667
Synonyms: N'-[(E)-(4-hydroxyphenyl)methylidene]-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbohydrazide
Smiles: O=C(C12CCC(C2(C)C)(C(=O)O1)C)N/N=C/c1ccc(cc1)O
STK845285
Synonyms: N-[6,6-dimethyl-2,4-dioxo-1-(2-phenylethyl)-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]furan-2-carboxamide
Smiles: O=C1CC(C)(C)CC2=C1C(NC(=O)c1ccco1)(C(=O)N2CCc1ccccc1)C(F)(F)F
STK556672
Synonyms: ethyl(2Z)-2-{[(3-chlorophenyl)carbonyl]imino}-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Smiles: COCCCn1/c(=N\C(=O)c2cccc(c2)Cl)/c(cc2c1nc1c(C)cccn1c2=O)C(=O)OCC
STK556674
Synonyms: 2-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)-5-nitropyrimidine-4,6-diamine
Smiles: Clc1cccc(c1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCN(CC1)Cc1ccccc1
STK845286
Synonyms: (2E)-2-(1,3-benzothiazol-2-yl)-3-[4-(diphenylmethyl)piperazin-1-yl]prop-2-enenitrile
Smiles: N#C/C(=C\N1CCN(CC1)C(c1ccccc1)c1ccccc1)/c1nc2c(s1)cccc2
STK556678
Synonyms: 5-(3,4-dichlorophenyl)-3-(3-hydroxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Oc1cccc(c1)C1N(OC2C1C(=O)N(C2=O)c1ccc(c(c1)Cl)Cl)c1ccccc1
STK556679
Synonyms: N-[(2E)-3-cyano-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]thiophene-2-carboxamide
Smiles: COCCCn1/c(=N/C(=O)c2cccs2)/c(C#N)cc2c1nc1c(C)cccn1c2=O
STK556683
Synonyms: 4-(4-methylphenoxy)-2-(pyridin-2-yl)quinazoline
Smiles: Cc1ccc(cc1)Oc1nc(nc2c1cccc2)c1ccccn1
STK556684
Synonyms: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(Cn1nc(cc1C)C)N/N=C/c1ccc(cc1)[N+](=O)[O-]
STK556685
Synonyms: 3-(3-ethoxypropyl)-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: CCOCCCn1cnc2c(c1=O)[nH]c1c2ccc(c1)OC
STK845287
Synonyms: 6-(3-chlorophenyl)-3-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Clc1cccc(c1)c1sc2n(n1)c(nn2)COc1ccccc1
STK556686
Synonyms: 2-(benzylsulfanyl)-4-(ethylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CCSc1nc(SCc2ccccc2)nc2c1c1CC(C)(C)OCc1s2
STK556687
Synonyms: (2Z)-2-cyano-2-[(5E)-3-(2-methylphenyl)-5-(3-nitrobenzylidene)-4-oxo-1,3-thiazolidin-2-ylidene]-N-phenylethanamide
Smiles: N#C/C(=c\1/s/c(=C/c2cccc(c2)[N+](=O)[O-])/c(=O)n1c1ccccc1C)/C(=O)Nc1ccccc1
STK845288
Synonyms: 4-[4-(1,3-benzothiazol-2-yl)-1H-pyrazol-3-yl]-2-methylbenzene-1,3-diol
Smiles: Oc1ccc(c(c1C)O)c1n[nH]cc1c1nc2c(s1)cccc2
STK556693
Synonyms: 2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)sulfanyl]-N-(4-methylphenyl)propanamide
Smiles: O=C(C(Sc1ncnc2c1sc1c2cc2c(n1)CC(OC2)(C)C)C)Nc1ccc(cc1)C
STK556697
Synonyms: N~2~-(4-chlorophenyl)-N~4~-cyclohexyl-5-nitropyrimidine-2,4,6-triamine
Smiles: Clc1ccc(cc1)Nc1nc(NC2CCCCC2)c(c(n1)N)[N+](=O)[O-]
STK556698
Synonyms: (6Z)-6-{4-[(4-chlorobenzyl)oxy]-3-methoxybenzylidene}-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1OCc1ccc(cc1)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1
STK556701
Synonyms: N~4~-cyclohexyl-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1NC1CCCCC1)NCCc1ccccc1
STK556702
Synonyms: 2-[(7,7-dimethyl-2-phenyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone
Smiles: O=C(N1CCCC1)CSc1nc(nc2c1COC(C2)(C)C)c1ccccc1
STK556718
Synonyms: 2-[(2-chlorophenoxy)methyl]-5-[(1-phenylethyl)amino]-1,3-oxazole-4-carbonitrile
Smiles: N#Cc1nc(oc1NC(c1ccccc1)C)COc1ccccc1Cl
STK556721
Synonyms: ethyl3-{[hydroxy(diphenyl)acetyl]amino}-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)C(c1ccccc1)(c1ccccc1)O)cccc2
STK556728
Synonyms: 3-(ethylsulfanyl)-10,10-dimethyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC)nn2)CC(OC3)(C)C
STK845292
Synonyms: ethyl4-(3,4-dimethoxyphenyl)-2-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC=C2C(=O)N(C)C(=O)N(C2=O)C)scc1c1ccc(c(c1)OC)OC
STK556739
Synonyms: 2-[(4-fluorobenzyl)sulfanyl]benzoicacid
Smiles: Fc1ccc(cc1)CSc1ccccc1C(=O)O
STK556747
Synonyms: 7-methoxy-4-(4-phenylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole
Smiles: COc1ccc2c(c1)[nH]c1c2ncnc1N1CCN(CC1)c1ccccc1
STK845294
Synonyms: 4-{[(E)-2-cyano-2-(1-methyl-1H-benzimidazol-2-yl)ethenyl]amino}-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
Smiles: N#C/C(=C\Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C)/c1nc2c(n1C)cccc2
STK556750
Synonyms: 8-(furan-2-yl)-6-[(2-hydroxyethyl)amino]-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Smiles: OCCNc1nc(c2ccco2)c2c(c1C#N)CC(OC2)(C)C
STK556753
Synonyms: N,N-dipropyl-2-(pyridin-2-yl)quinazolin-4-amine
Smiles: CCCN(c1nc(nc2c1cccc2)c1ccccn1)CCC
STK845296
Synonyms: N~4~-(3-methylphenyl)-N~2~-[2-(morpholin-4-yl)ethyl]-5-nitropyrimidine-2,4,6-triamine
Smiles: Cc1cccc(c1)Nc1nc(NCCN2CCOCC2)nc(c1[N+](=O)[O-])N
STK845298
Synonyms: N~2~-(3-methoxypropyl)-5-nitro-N~4~-phenylpyrimidine-2,4,6-triamine
Smiles: COCCCNc1nc(Nc2ccccc2)c(c(n1)N)[N+](=O)[O-]
STK556764
Synonyms: [(3E)-3-benzylidene-1,3-dihydro-2H-indol-2-ylidene]propanedinitrile
Smiles: N#CC(=c1[nH]c2c(/c/1=C\c1ccccc1)cccc2)C#N
STK845299
Synonyms: ethyl4-[({[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)OCC)nnc1CSc1nc(C)cc(n1)C
STK845300
Synonyms: 6-(furan-2-yl)-3-(2-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: COc1ccccc1c1nnc2n1nc(s2)c1ccco1
STK556766
Synonyms: 2-(3,5-dimethylpiperidin-1-yl)-N-(4-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine
Smiles: CCOc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CC(C)CC(C1)C
STK556769
Synonyms: N~4~-(2-methoxyphenyl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: COc1ccccc1Nc1nc(NCc2ccc(cc2)C)nc(c1[N+](=O)[O-])N
STK845304
Synonyms: 2-(2-{[4-amino-6-(benzylamino)-5-nitropyrimidin-2-yl]amino}ethoxy)ethanol
Smiles: OCCOCCNc1nc(NCc2ccccc2)c(c(n1)N)[N+](=O)[O-]
STK556772
Synonyms: 3-(2,4-dimethylphenyl)-2-propylquinazolin-4(3H)-one
Smiles: CCCc1nc2ccccc2c(=O)n1c1ccc(cc1C)C
STK845306
Synonyms: 3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-yldimethylcarbamate
Smiles: O=C(N(C)C)Oc1ccc2c(c1)occ(c2=O)c1nc2c(s1)cccc2
STK845307
Synonyms: (2E)-2-cyano-N-(2-methoxyethyl)-3-(1,2,5-trimethyl-1H-pyrrol-3-yl)prop-2-enamide
Smiles: COCCNC(=O)/C(=C/c1cc(n(c1C)C)C)/C#N
STK845310
Synonyms: 2-({4-amino-6-[(4-ethoxyphenyl)amino]-5-nitropyrimidin-2-yl}amino)ethanol
Smiles: OCCNc1nc(Nc2ccc(cc2)OCC)c(c(n1)N)[N+](=O)[O-]
STK556781
Synonyms: 2-(4-methylpiperidin-1-yl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-4-amine
Smiles: CC1CCN(CC1)c1nc(N)c(c(n1)N1CCCC1)[N+](=O)[O-]
STK556784
Synonyms: 6-(biphenyl-4-yl)-3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: c1ccc(cc1)c1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccccc1
STK845316
Synonyms: 3-(3-chlorophenyl)-6-(3-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: COc1cccc(c1)c1nn2c(s1)nnc2c1cccc(c1)Cl
STK556801
Synonyms: 6-cyclohexyl-3-(pyridin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: C1CCC(CC1)c1nn2c(s1)nnc2c1ccccn1
STK556802
Synonyms: 2-(5-methyl-1H-pyrazol-1-yl)-N'-[(E)-thiophen-2-ylmethylidene]acetohydrazide
Smiles: O=C(Cn1nccc1C)N/N=C/c1cccs1
STK556807
Synonyms: 2,4-dichloro-N-[(2E)-3-cyano-10-methyl-1-(2-methylpropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]benzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccc(cc1Cl)Cl)CC(C)C)nc1n(c2=O)cccc1C
STK556809
Synonyms: 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-yl2-chlorobenzoate
Smiles: CCc1cc2c(cc1OC(=O)c1ccccc1Cl)occ(c2=O)c1nc2c(s1)cccc2
STK556813
Synonyms: N~4~-(2-methoxyphenyl)-N~2~-(3-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: COc1cccc(c1)Nc1nc(N)c(c(n1)Nc1ccccc1OC)[N+](=O)[O-]
STK845319
Synonyms: 6-(2-chlorophenyl)-3-(4-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Cc1ccc(cc1)c1nnc2n1nc(s2)c1ccccc1Cl
STK556815
Synonyms: N~4~-(3,4-dimethylphenyl)-N~2~-(3-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: COc1cccc(c1)Nc1nc(Nc2ccc(c(c2)C)C)c(c(n1)N)[N+](=O)[O-]
STK556817
Synonyms: 3-(pyridin-3-ylmethoxy)-2-[(pyridin-3-ylmethyl)sulfanyl]quinazolin-4(3H)-one
Smiles: O=c1c2ccccc2nc(n1OCc1cccnc1)SCc1cccnc1
STK556824
Synonyms: 5-(4-butoxyphenyl)-3-(2-hydroxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccccc1O
STK556827
Synonyms: N~2~-benzyl-N~4~-(3,4-dimethylphenyl)-N~2~-methyl-5-nitropyrimidine-2,4,6-triamine
Smiles: CN(c1nc(Nc2ccc(c(c2)C)C)c(c(n1)N)[N+](=O)[O-])Cc1ccccc1
STK556828
Synonyms: N~2~-benzyl-5-nitro-N~4~-(tetrahydrofuran-2-ylmethyl)pyrimidine-2,4,6-triamine
Smiles: [O-][N+](=O)c1c(NCC2CCCO2)nc(nc1N)NCc1ccccc1
STK556831
Synonyms: 2-(5-methyl-1H-pyrazol-1-yl)-N'-[(E)-(6-methylpyridin-2-yl)methylidene]acetohydrazide
Smiles: Cc1cccc(n1)/C=N/NC(=O)Cn1nccc1C
STK845325
Synonyms: 6-(3-methoxyphenyl)-3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: COc1cccc(c1)C1=Nn2c(SC1)nnc2c1ccccc1
STK556836
Synonyms: N~4~-(2,5-dimethoxyphenyl)-5-nitro-N~2~-(prop-2-en-1-yl)pyrimidine-2,4,6-triamine
Smiles: C=CCNc1nc(Nc2cc(OC)ccc2OC)c(c(n1)N)[N+](=O)[O-]
STK845328
Synonyms: 4-methyl-5-[5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine
Smiles: C=CCn1c(SC/C=C/c2ccccc2)nnc1c1sc(nc1C)N
STK556839
Synonyms: N~2~-benzyl-5-nitro-6-(piperidin-1-yl)pyrimidine-2,4-diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCCC1)NCc1ccccc1
STK556840
Synonyms: 1-{[2-(benzylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]amino}propan-2-ol
Smiles: CC(CNc1nc(SCc2ccccc2)nc2c1c1CC(C)(C)OCc1s2)O
STK845329
Synonyms: 3-(butanoylamino)-N-(butan-2-yl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxamide
Smiles: CCCC(=O)Nc1c(sc2c1cc1COC(Cc1n2)(C)C)C(=O)NC(CC)C
STK556843
Synonyms: 1-(5-methoxy-1H-indol-3-yl)-2-(thiomorpholin-4-yl)ethanol
Smiles: COc1ccc2c(c1)c(c[nH]2)C(CN1CCSCC1)O
STK556844
Synonyms: 6-(4-methylpiperidin-1-yl)-N~2~-[2-(morpholin-4-yl)ethyl]-5-nitropyrimidine-2,4-diamine
Smiles: CC1CCN(CC1)c1nc(NCCN2CCOCC2)nc(c1[N+](=O)[O-])N
STK556846
Synonyms: 6-(4-methoxyphenyl)-3-(pyridin-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: COc1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccncc1
STK556847
Synonyms: N-(3-chloro-4-methoxybenzyl)imidodicarbonimidicdiamide
Smiles: COc1ccc(cc1Cl)CNC(=N)NC(=N)N
STK556849
Synonyms: N,N-dimethyl-N'-[5-(piperidin-1-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]ethane-1,2-diamine
Smiles: CN(CCNc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCCCC1)C
STK556853
Synonyms: 3-(3-hydroxyphenyl)-2,5-diphenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Oc1cccc(c1)C1N(OC2C1C(=O)N(C2=O)c1ccccc1)c1ccccc1
STK556856
Synonyms: N-[(2E)-3-cyano-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]pyridine-4-carboxamide
Smiles: COCCCn1/c(=N/C(=O)c2ccncc2)/c(C#N)cc2c1nc1c(C)cccn1c2=O
STK556861
Synonyms: N'-[(E)-furan-2-ylmethylidene]-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
Smiles: O=C(Cn1nccc1C)N/N=C/c1ccco1
STK845334
Synonyms: (2E)-2-(1,3-benzothiazol-2-yl)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cc(Cl)cc2c1OCOC2)/c1nc2c(s1)cccc2
STK556869
Synonyms: 2-(5-methyl-1H-pyrazol-1-yl)-N'-[(E)-pyridin-2-ylmethylidene]acetohydrazide
Smiles: O=C(Cn1nccc1C)N/N=C/c1ccccn1
STK845335
Synonyms: 2-(4-benzylpiperazin-1-yl)-6-(morpholin-4-yl)-5-nitropyrimidin-4-amine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCOCC1)N1CCN(CC1)Cc1ccccc1
STK556873
Synonyms: N-[6,6-dimethyl-2,4-dioxo-1-(tetrahydrofuran-2-ylmethyl)-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-2-methylbenzamide
Smiles: O=C1CC(C)(C)CC2=C1C(NC(=O)c1ccccc1C)(C(=O)N2CC1CCCO1)C(F)(F)F
STK556874
Synonyms: methyl3-[(2-phenylbutanoyl)amino]-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C(c1ccccc1)CC)cccc2
STK556877
Synonyms: N-[(2E)-1-butyl-3-cyano-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-4-methoxybenzamide
Smiles: CCCCn1/c(=N/C(=O)c2ccc(cc2)OC)/c(C#N)cc2c1nc1c(C)cccn1c2=O
STK556878
Synonyms: 3-(butanoylamino)-7,7-dimethyl-N-(4-phenylbutan-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxamide
Smiles: CCCC(=O)Nc1c(sc2c1cc1COC(Cc1n2)(C)C)C(=O)NC(CCc1ccccc1)C
STK556879
Synonyms: N~2~-(3,4-dimethylphenyl)-N~4~-(4-ethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: CCOc1ccc(cc1)Nc1nc(Nc2ccc(c(c2)C)C)nc(c1[N+](=O)[O-])N
STK556880
Synonyms: N-{2-[(benzylcarbamoyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}-3-phenylpropanamide
Smiles: O=C(NC(C(F)(F)F)(C(F)(F)F)NC(=O)NCc1ccccc1)CCc1ccccc1
STK556882
Synonyms: ethyl7-[(2-chloro-4-fluorobenzyl)oxy]-3-(2-methoxyphenyl)-4-oxo-4H-chromene-2-carboxylate
Smiles: CCOC(=O)c1oc2cc(OCc3ccc(cc3Cl)F)ccc2c(=O)c1c1ccccc1OC
STK845338
Synonyms: 3-(3-chlorophenyl)-6-(2-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Clc1cccc(c1)c1nnc2n1nc(s2)c1ccccc1C
STK556890
Synonyms: N'-[(1E)-1-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}ethylidene]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
Smiles: COc1cc(ccc1OCc1ccccc1Cl)/C(=N/NC(=O)CSc1nncn1C)/C
STK556891
Synonyms: 6-(4-ethoxyphenyl)-3-(2-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccccc1C
STK556894
Synonyms: 6-(2,5-dimethoxyphenyl)-3-(pyridin-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: COc1ccc(c(c1)C1=Nn2c(SC1)nnc2c1ccccn1)OC
STK556895
Synonyms: 2,2',2''-propane-1,1,3-triyltris(5,5-dimethylcyclohexane-1,3-dione)
Smiles: O=C1CC(C)(C)CC(=O)C1CCC(C1C(=O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=O)(C)C
STK556897
Synonyms: (6Z)-5-imino-6-(1H-indol-3-ylmethylidene)-2-[2-(morpholin-4-yl)-2-oxoethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCOCC1)Cc1nn2c(=NC(=O)/C(=C\c3c[nH]c4c3cccc4)/C2=N)s1
STK556900
Synonyms: 4-(2-bromo-4-methylphenoxy)-2-(pyridin-4-yl)quinazoline
Smiles: Cc1ccc(c(c1)Br)Oc1nc(nc2c1cccc2)c1ccncc1
STK556909
Synonyms: N~4~-(3-chlorophenyl)-N~2~-[2-(morpholin-4-yl)ethyl]-5-nitropyrimidine-2,4,6-triamine
Smiles: Clc1cccc(c1)Nc1nc(NCCN2CCOCC2)nc(c1[N+](=O)[O-])N
STK556912
Synonyms: methyl3-{[(E)-(dimethylamino)methylidene]amino}-6-methoxy-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1/N=C/N(C)C)ccc(c2)OC
STK556914
Synonyms: 5-(4-methylphenyl)-2-phenyl-3-(pyridin-4-yl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Cc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccncc1
STK556917
Synonyms: 3-(4-methylphenyl)-6-(thiophen-2-ylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Cc1ccc(cc1)c1nnc2n1nc(s2)Cc1cccs1
STK556919
Synonyms: (2E)-3-(3,4-diethoxyphenyl)-2-{[(2-methylphenyl)carbonyl]amino}prop-2-enoicacid
Smiles: CCOc1cc(ccc1OCC)/C=C(\C(=O)O)/NC(=O)c1ccccc1C
STK556925
Synonyms: (4-oxo-3,4-dihydroquinazolin-2-yl)acetonitrile
Smiles: N#CCc1nc2ccccc2c(=O)[nH]1
STK845345
Synonyms: 3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-ylmorpholine-4-carboxylate
Smiles: COc1ccc(cc1)Oc1c(=O)c2ccc(cc2oc1C(F)(F)F)OC(=O)N1CCOCC1
STK556942
Synonyms: 6-(biphenyl-4-yl)-3-(pyridin-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: c1ccc(cc1)c1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccncc1
STK556945
Synonyms: 1-[(2-fluorobenzyl)sulfanyl]-4-(4-methylphenyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Cc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SCc1ccccc1F
STK556946
Synonyms: ethyl(2''R,3''R)-2''-(4-methoxyphenyl)-4',6'-dioxo-2'',3''-dihydro-10b''H-dispiro[cyclopentane-1,2'-[1,3]dioxane-5',1''-pyrrolo[2,1-a]phthalazine]-3''-carboxylate
Smiles: CCOC(=O)[C@@H]1N2N=Cc3c(C2C2([C@H]1c1ccc(cc1)OC)C(=O)OC1(OC2=O)CCCC1)cccc3
STK556947
Synonyms: 8-(hexylamino)-1,3-dimethyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCn1c(NCCCCCC)nc2c1c(=O)n(c(=O)n2C)C
STK556949
Synonyms: 6-(2,5-dimethoxyphenyl)-3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: COc1ccc(c(c1)C1=Nn2c(SC1)nnc2c1ccccc1)OC
STK845347
Synonyms: (2E)-2-(1,3-benzoxazol-2-yl)-3-(3-fluorophenyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cccc(c1)F)/c1nc2c(o1)cccc2
STK845348
Synonyms: 2-({4-amino-6-[(3,4-dimethylphenyl)amino]-5-nitropyrimidin-2-yl}amino)ethanol
Smiles: OCCNc1nc(Nc2ccc(c(c2)C)C)c(c(n1)N)[N+](=O)[O-]
STK556955
Synonyms: 4-amino-6,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2(1H)-thione
Smiles: S=c1nc(N)c2c([nH]1)nc1c(c2)CCCC1
STK556957
Synonyms: 5-oxo-1-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-N-[3-(trifluoromethyl)phenyl]-L-prolinamide
Smiles: O=C([C@H]1CCC(=O)N1C1OC(=O)c2c1cccc2)Nc1cccc(c1)C(F)(F)F
STK556959
Synonyms: 4-(4-hydroxyphenyl)-6-(4-methoxyphenyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Smiles: COc1ccc(cc1)N1CC2=C(C1=O)C(NC(=O)N2C)c1ccc(cc1)O
STK556962
Synonyms: 5-bromo-6-hydroxypyridine-3-sulfonicacid
Smiles: Oc1ncc(cc1Br)S(=O)(=O)O
STK556963
Synonyms: N'-[(E)-(3-methoxyphenyl)methylidene]-2-{[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: COc1cccc(c1)/C=N/NC(=O)CSc1nnc(n1C)c1cccc(c1)[N+](=O)[O-]
STK845351
Synonyms: 1-[(4-benzylpiperazin-1-yl)carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one
Smiles: O=C(C12CCC(C2(C)C)(C(=O)O1)C)N1CCN(CC1)Cc1ccccc1
STK556966
Synonyms: N-benzyl-2-(pyridin-2-yl)quinazolin-4-amine
Smiles: c1ccc(cc1)CNc1nc(nc2c1cccc2)c1ccccn1
STK845352
Synonyms: (2E)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1,3-benzothiazol-2-yl)prop-2-enenitrile
Smiles: N#C/C(=C\N1CCN(CC1)Cc1ccc2c(c1)OCO2)/c1nc2c(s1)cccc2
STK556971
Synonyms: 6-(4-methoxyphenyl)-3-(pyridin-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: COc1ccc(cc1)C1=Nn2c(SC1)nnc2c1cccnc1
STK845354
Synonyms: (2E,4E)-2-(1,3-benzoxazol-2-yl)-5-phenylpenta-2,4-dienenitrile
Smiles: N#C/C(=C\C=C\c1ccccc1)/c1nc2c(o1)cccc2
STK556974
Synonyms: ethyl3-(4-amino-1,3-thiazol-2-yl)-5-oxotetrahydrofuran-3-carboxylate
Smiles: CCOC(=O)C1(COC(=O)C1)c1scc(n1)N
STK556977
Synonyms: 2-{4-[cyclohexyl(ethyl)amino]quinazolin-2-yl}-6-methoxyphenol
Smiles: CCN(c1nc(nc2c1cccc2)c1cccc(c1O)OC)C1CCCCC1
STK556980
Synonyms: 2,4-dichloro-N-[(2Z)-3-cyano-1-(furan-2-ylmethyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]benzamide
Smiles: N#Cc1cc2c(n(/c/1=N\C(=O)c1ccc(cc1Cl)Cl)Cc1ccco1)nc1n(c2=O)cccc1C
STK556984
Synonyms: 2-[(2-chlorophenoxy)methyl]-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
Smiles: N#Cc1nc(oc1N1CCN(CC1)c1ccc(cc1)OC)COc1ccccc1Cl
STK556987
Synonyms: 6-(4-benzylpiperidin-1-yl)-N~2~-(3-methylbutyl)-5-nitropyrimidine-2,4-diamine
Smiles: CC(CCNc1nc(N2CCC(CC2)Cc2ccccc2)c(c(n1)N)[N+](=O)[O-])C
STK556989
Synonyms: 6,6-dimethyl-2-(propylsulfanyl)-4-(pyrrolidin-1-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CCCSc1nc(N2CCCC2)c2c(n1)sc1c2CC(OC1)(C)C
STK845358
Synonyms: (2E)-2-(1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc(cc1)F)/c1nc2c(s1)cccc2
STK845360
Synonyms: (Z)-1-cyclohexyl-1-(6-ethoxynaphthalen-2-yl)-N-hydroxymethanimine
Smiles: CCOc1ccc2c(c1)ccc(c2)/C(=N\O)/C1CCCCC1
STK556994
Synonyms: N-(3-methoxypropyl)-4-(morpholin-4-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-amine
Smiles: COCCCNc1ncnc2c1sc1c2c2CCCc2c(n1)N1CCOCC1
STK556997
Synonyms: 3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl2-chlorobenzoate
Smiles: O=c1oc2cc(ccc2cc1c1nc2c(s1)cccc2)OC(=O)c1ccccc1Cl
STK557003
Synonyms: N~4~-(4-methylphenyl)-N~2~-[2-(morpholin-4-yl)ethyl]-5-nitropyrimidine-2,4,6-triamine
Smiles: Cc1ccc(cc1)Nc1nc(NCCN2CCOCC2)nc(c1[N+](=O)[O-])N
STK845361
Synonyms: 6-(azepan-1-yl)-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4-diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCCCC1)NCCc1ccccc1
STK557021
Synonyms: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-ethyl-8,8-dimethyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Smiles: CCn1c(SCC(=O)c2ccc(cc2)Cl)nc2c(c1=O)cc1c(n2)CC(OC1)(C)C
STK845362
Synonyms: 1-(4-chlorophenyl)-3-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione
Smiles: Clc1ccc(cc1)N1C2=C(C(C1=O)(O)C(F)(F)F)C(=O)CC(C2)(C)C
STK557023
Synonyms: N~2~-methyl-5-nitro-N~4~-phenylpyrimidine-2,4,6-triamine
Smiles: CNc1nc(Nc2ccccc2)c(c(n1)N)[N+](=O)[O-]
STK557024
Synonyms: 4-[(3-cyano-5-ethyl-5-methyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)amino]-4-oxobutanoicacid
Smiles: CCC1(C)OCc2c(C1)c(C#N)c(s2)NC(=O)CCC(=O)O
STK557025
Synonyms: (5Z)-2-[(4-bromophenyl)amino]-5-(3-fluorobenzylidene)-1,3-thiazol-4(5H)-one
Smiles: Brc1ccc(cc1)NC1=NC(=O)/C(=C/c2cccc(c2)F)/S1
STK845363
Synonyms: N~4~-(2,5-dimethoxyphenyl)-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine
Smiles: COc1ccc(c(c1)Nc1nc(NCCc2ccccc2)nc(c1[N+](=O)[O-])N)OC
STK557035
Synonyms: N~4~-benzyl-N~2~-(4-ethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: CCOc1ccc(cc1)Nc1nc(N)c(c(n1)NCc1ccccc1)[N+](=O)[O-]
STK557037
Synonyms: 2-ethoxy-4-[(E)-(2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazinylidene)methyl]phenyl4-chlorobenzoate
Smiles: CCOc1cc(/C=N/NC(=O)CSc2nncn2C)ccc1OC(=O)c1ccc(cc1)Cl
STK845364
Synonyms: 2-[(2-fluorophenoxy)methyl]-5-[(4-methoxybenzyl)amino]-1,3-oxazole-4-carbonitrile
Smiles: N#Cc1nc(oc1NCc1ccc(cc1)OC)COc1ccccc1F
STK845367
Synonyms: 4-chloro-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol
Smiles: Clc1ccc(c(c1)c1n[nH]c(c1)c1ccccc1F)O
STK557047
Synonyms: 2-[(3-ethyl-8,8-dimethyl-4-oxo-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
Smiles: CCn1c(SCC(=O)Nc2ccc(cc2)C)nc2c(c1=O)cc1c(n2)CC(OC1)(C)C
STK557048
Synonyms: 2-(4-benzylpiperidin-1-yl)-N-(3-chlorophenyl)-5-nitropyrimidine-4,6-diamine
Smiles: Clc1cccc(c1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCC(CC1)Cc1ccccc1
STK557054
Synonyms: 6-(1,3-benzodioxol-5-yl)-3-(3-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CCOc1cccc(c1)c1nnc2n1N=C(CS2)c1ccc2c(c1)OCO2
STK557060
Synonyms: 4-chloro-6,6-dimethyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CCCSc1nc(Cl)c2c(n1)sc1c2CC(OC1)(C)C
STK557061
Synonyms: N'-[(E)-1,3-benzodioxol-5-ylmethylidene]-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbohydrazide
Smiles: O=C(C12CCC(C2(C)C)(C(=O)O1)C)N/N=C/c1ccc2c(c1)OCO2
STK557065
Synonyms: 5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: C=CCn1c(CSc2nc(C)cc(n2)C)n[nH]c1=S
STK557067
Synonyms: 4-[4-(4-fluorophenyl)piperazin-1-yl]-7-methoxy-5H-pyrimido[5,4-b]indole
Smiles: COc1ccc2c(c1)[nH]c1c2ncnc1N1CCN(CC1)c1ccc(cc1)F
STK845369
Synonyms: (2E)-2-(1,3-benzothiazol-2-yl)-3-[(2-methoxy-5-methylphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cc(C)ccc1OC)/c1nc2c(s1)cccc2
STK557076
Synonyms: N-[(2E)-3-cyano-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-4-methoxybenzamide
Smiles: COCCCn1/c(=N/C(=O)c2ccc(cc2)OC)/c(C#N)cc2c1nc1c(C)cccn1c2=O
STK557079
Synonyms: 2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(E)-pyridin-2-ylmethylidene]acetohydrazide
Smiles: O=C(CSc1nncn1C)N/N=C/c1ccccn1
STK557089
Synonyms: [3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl](phenylsulfonyl)acetonitrile
Smiles: CCN1CCN(CC1)c1nc2ccccc2nc1C(S(=O)(=O)c1ccccc1)C#N
STK845370
Synonyms: 7-hydroxy-3-(2-methoxyphenyl)-2-(trifluoromethyl)-4H-chromen-4-one
Smiles: COc1ccccc1c1c(=O)c2ccc(cc2oc1C(F)(F)F)O
STK557094
Synonyms: 4-(4-benzylpiperidin-1-yl)-7-methoxy-5H-pyrimido[5,4-b]indole
Smiles: COc1ccc2c(c1)[nH]c1c2ncnc1N1CCC(CC1)Cc1ccccc1
STK557097
Synonyms: 6-(3-bromophenyl)-3-(3-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CCOc1cccc(c1)c1nnc2n1N=C(CS2)c1cccc(c1)Br
STK557099
Synonyms: N~4~-cyclohexyl-5-nitro-N~2~-(tetrahydrofuran-2-ylmethyl)pyrimidine-2,4,6-triamine
Smiles: [O-][N+](=O)c1c(NC2CCCCC2)nc(nc1N)NCC1CCCO1
STK557102
Synonyms: 4-(4-ethylpiperazin-1-yl)-2-(pyridin-2-yl)quinazoline
Smiles: CCN1CCN(CC1)c1nc(nc2c1cccc2)c1ccccn1
STK557110
Synonyms: N~4~-(3-fluorophenyl)-N~2~-(4-methylphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: Cc1ccc(cc1)Nc1nc(Nc2cccc(c2)F)c(c(n1)N)[N+](=O)[O-]
STK557111
Synonyms: 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yldiethylcarbamate
Smiles: CCN(C(=O)Oc1ccc2c(c1)oc(c(c2=O)c1ccc(cc1)Cl)C(F)(F)F)CC
STK557112
Synonyms: 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[3-(furan-2-yl)-4-methylpentyl]acetamide
Smiles: O=C(CN1C(=O)c2c(C1=O)cccc2)NCCC(c1ccco1)C(C)C
STK557117
Synonyms: N~4~-(3-chlorophenyl)-5-nitro-N~2~-phenylpyrimidine-2,4,6-triamine
Smiles: Clc1cccc(c1)Nc1nc(Nc2ccccc2)nc(c1[N+](=O)[O-])N
STK845377
Synonyms: N~2~-methyl-6-(4-methylpiperidin-1-yl)-5-nitro-N~2~-phenylpyrimidine-2,4-diamine
Smiles: CC1CCN(CC1)c1nc(nc(c1[N+](=O)[O-])N)N(c1ccccc1)C
STK845378
Synonyms: 4-methyl-N-phenyl-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide
Smiles: O=C(c1sc(nc1C)Nc1ccc(cc1)S(=O)(=O)N)Nc1ccccc1
STK557124
Synonyms: (6E)-6-[4-(dimethylamino)benzylidene]-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C\c1ccc(cc1)N(C)C)c1cccnc1
STK557148
Synonyms: N-[(2E)-3-cyano-10-methyl-1-(2-methylpropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-4-fluorobenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccc(cc1)F)CC(C)C)nc1n(c2=O)cccc1C
STK557152
Synonyms: N-(2-methoxyphenyl)-5-nitro-2-(piperidin-1-yl)pyrimidine-4,6-diamine
Smiles: COc1ccccc1Nc1nc(nc(c1[N+](=O)[O-])N)N1CCCCC1
STK845381
Synonyms: 2-(4-methylpiperidin-1-yl)-5-nitro-N-phenylpyrimidine-4,6-diamine
Smiles: CC1CCN(CC1)c1nc(Nc2ccccc2)c(c(n1)N)[N+](=O)[O-]
STK557153
Synonyms: N~4~-(3,4-dimethylphenyl)-N~2~-(2-methylpropyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: CC(CNc1nc(Nc2ccc(c(c2)C)C)c(c(n1)N)[N+](=O)[O-])C
STK557158
Synonyms: N~2~-benzyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine
Smiles: CC1CCN(CC1)c1nc(NCc2ccccc2)nc(c1[N+](=O)[O-])N
STK557159
Synonyms: 3-(2,4-dichlorophenyl)-5-(3-methylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Cc1cccc(c1)N1C(=O)C2C(C1=O)ON(C2c1ccc(cc1Cl)Cl)c1ccccc1
STK557160
Synonyms: N-[(2E)-3-cyano-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-4-nitrobenzamide
Smiles: COCCCn1/c(=N/C(=O)c2ccc(cc2)[N+](=O)[O-])/c(C#N)cc2c1nc1c(C)cccn1c2=O
STK845383
Synonyms: N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-2,2-dimethylpropanamide
Smiles: O=c1n(C)c(=O)n(c2c1C(NC(=O)C(C)(C)C)(C(=O)N2)C(F)(F)F)C
STK557163
Synonyms: 2-(diphenylmethyl)-5-nitro-2,4-dihydro-3H-1,2,4-triazol-3-one
Smiles: O=c1[nH]c(nn1C(c1ccccc1)c1ccccc1)[N+](=O)[O-]
STK845386
Synonyms: (2E)-3-(2-chloro-6-fluorophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
Smiles: Oc1ccc(cc1)C(=O)/C=C/c1c(F)cccc1Cl
STK557168
Synonyms: N-[3-(morpholin-4-yl)propyl]-4-phenyltetrahydro-2H-pyran-4-carboxamide
Smiles: O=C(C1(CCOCC1)c1ccccc1)NCCCN1CCOCC1
STK845389
Synonyms: 5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(2-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
Smiles: N#Cc1nc(oc1N1CCN(CC1)c1ccc(cc1)OC)COc1ccccc1C
STK557170
Synonyms: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-[(E)-pyridin-3-ylmethylidene]acetohydrazide
Smiles: O=C(Cn1nc(cc1C)C)N/N=C/c1cccnc1
STK845390
Synonyms: N~4~-(3-fluorophenyl)-5-nitro-N~2~-(tetrahydrofuran-2-ylmethyl)pyrimidine-2,4,6-triamine
Smiles: Fc1cccc(c1)Nc1nc(NCC2CCCO2)nc(c1[N+](=O)[O-])N
STK845391
Synonyms: (2E)-3-[(2,4-dimethoxyphenyl)amino]-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Smiles: COc1ccc(c(c1)OC)N/C=C(/c1nc2c(n1C)cccc2)\C#N
STK845393
Synonyms: 6-(furan-2-yl)-3-(4-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Cc1ccc(cc1)c1nnc2n1nc(s2)c1ccco1
STK557176
Synonyms: 5-amino-3-nitro-1H-1,2,4-triazole-1-carboxamide
Smiles: [O-][N+](=O)c1nn(c(n1)N)C(=O)N
STK845395
Synonyms: 3-chloro-N-[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]benzamide
Smiles: Cc1ccc(cc1)N1C2=C(C(C1=O)(NC(=O)c1cccc(c1)Cl)C(F)(F)F)C(=O)CC(C2)(C)C
STK845396
Synonyms: methyl2-[({[5-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]benzoate
Smiles: COC(=O)c1ccccc1NC(=O)CSc1nnc(o1)c1sc(nc1C)N
STK557183
Synonyms: {[3-(cyanomethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetonitrile
Smiles: N#CCSc1nc2ccccc2c(=O)n1OCC#N
STK557185
Synonyms: N~2~-(butan-2-yl)-6-(morpholin-4-yl)-5-nitropyrimidine-2,4-diamine
Smiles: CCC(Nc1nc(N2CCOCC2)c(c(n1)N)[N+](=O)[O-])C
STK557196
Synonyms: 6-(2,5-dimethoxyphenyl)-3-(furan-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: COc1ccc(c(c1)C1=Nn2c(SC1)nnc2c1ccco1)OC
STK845399
Synonyms: N~4~-benzyl-N~2~,N~2~-dimethyl-5-nitropyrimidine-2,4,6-triamine
Smiles: [O-][N+](=O)c1c(NCc2ccccc2)nc(nc1N)N(C)C
STK557200
Synonyms: methyl5-oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylate
Smiles: COC(=O)c1n[nH]c(=O)[nH]1
STK557201
Synonyms: 4-benzyl-6-ethyl-1-(ethylsulfanyl)-6-methyl-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Smiles: CCSc1nnc2n1c1c3ccccc3CC(c1c(=O)n2Cc1ccccc1)(C)CC
STK557202
Synonyms: 2-chloro-N-[(2E)-3-cyano-10-methyl-5-oxo-1-(propan-2-yl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]benzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccccc1Cl)C(C)C)nc1n(c2=O)cccc1C
STK845403
Synonyms: 1-[(4-phenoxybenzyl)oxy]quinoxalin-2(1H)-one4-oxide
Smiles: O=c1c[n+]([O-])c2c(n1OCc1ccc(cc1)Oc1ccccc1)cccc2
STK557219
Synonyms: N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine
Smiles: CCOc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCC(CC1)C
STK557220
Synonyms: 2-(azepan-1-yl)-6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-amine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCN(CC1)Cc1ccccc1)N1CCCCCC1
STK845405
Synonyms: 3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl2,2-dimethylpropanoate
Smiles: O=c1oc2cc(ccc2cc1c1nc2c(s1)cccc2)OC(=O)C(C)(C)C
STK845406
Synonyms: N~2~-(4-methoxyphenyl)-6-(morpholin-4-yl)-5-nitropyrimidine-2,4-diamine
Smiles: COc1ccc(cc1)Nc1nc(N)c(c(n1)N1CCOCC1)[N+](=O)[O-]
STK557222
Synonyms: methyl3-({3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl}amino)-6-methoxy-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)Cc1ccc3c(c1)OCO3)ccc(c2)OC
STK557228
Synonyms: 6-(4-ethylpiperazin-1-yl)-5-nitro-N~2~-(tetrahydrofuran-2-ylmethyl)pyrimidine-2,4-diamine
Smiles: CCN1CCN(CC1)c1nc(NCC2CCCO2)nc(c1[N+](=O)[O-])N
STK557234
Synonyms: N~2~-cyclohexyl-N~4~-(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: Fc1cccc(c1)Nc1nc(NC2CCCCC2)nc(c1[N+](=O)[O-])N
STK557238
Synonyms: N-(3-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine
Smiles: CC1CC(C)CN(C1)c1nc(Nc2cccc(c2)Cl)c(c(n1)N)[N+](=O)[O-]
STK557239
Synonyms: ethylN-({[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetyl)glycinate
Smiles: CCOC(=O)CNC(=O)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)OC
STK557241
Synonyms: 3-(4-tert-butylphenyl)-6-(4-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Cc1ccc(cc1)c1nn2c(s1)nnc2c1ccc(cc1)C(C)(C)C
STK557242
Synonyms: 2-chloro-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine
Smiles: COc1ccc(cc1Nc1nc(Cl)nc(c1[N+](=O)[O-])N)OC
STK845408
Synonyms: 4-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol
Smiles: Clc1ccc(cc1)c1c(C)[nH]nc1c1ccc(cc1O)O
STK845409
Synonyms: N-(3-fluorophenyl)-5-nitro-2-(piperidin-1-yl)pyrimidine-4,6-diamine
Smiles: Fc1cccc(c1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCCCC1
STK557244
Synonyms: (5Z)-5-(3-fluorobenzylidene)-2-[(4-hydroxyphenyl)amino]-1,3-thiazol-4(5H)-one
Smiles: Oc1ccc(cc1)NC1=NC(=O)/C(=C/c2cccc(c2)F)/S1
STK557246
Synonyms: 6-(morpholin-4-yl)-5-nitro-N~2~-phenylpyrimidine-2,4-diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCOCC1)Nc1ccccc1
STK557248
Synonyms: 2-{[(2-bromophenyl)carbonyl]amino}-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxamide
Smiles: NC(=O)c1c(NC(=O)c2ccccc2Br)sc2c1CC(C)(C)OC2
STK845411
Synonyms: N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide
Smiles: Fc1ccc(cc1)N1C(=O)NC(C1=O)(NC(=O)C(C)(C)C)C(F)(F)F
STK557255
Synonyms: N~4~-(2-fluorophenyl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: Cc1ccc(cc1)CNc1nc(N)c(c(n1)Nc1ccccc1F)[N+](=O)[O-]
STK845414
Synonyms: (2E)-2-(1,3-benzoxazol-2-yl)-3-(3-hydroxyphenyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cccc(c1)O)/c1nc2c(o1)cccc2
STK557258
Synonyms: 2-{[2-(benzylsulfanyl)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl]amino}ethanol
Smiles: OCCNc1nc(SCc2ccccc2)nc2c1c1CCCc1s2
STK557259
Synonyms: 2-ethyl4-methyl3-methyl-5-[3-(4-methylphenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-2,4-dicarboxylate
Smiles: CCOC(=O)c1sc(c(c1C)C(=O)OC)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1)C
STK557262
Synonyms: 3-(2-phenoxyethoxy)-2-[(2-phenoxyethyl)sulfanyl]quinazolin-4(3H)-one
Smiles: O=c1c2ccccc2nc(n1OCCOc1ccccc1)SCCOc1ccccc1
STK557267
Synonyms: 2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)sulfanyl]-N-(4-methoxyphenyl)propanamide
Smiles: COc1ccc(cc1)NC(=O)C(Sc1ncnc2c1sc1c2cc2c(n1)CC(OC2)(C)C)C
STK557269
Synonyms: ethyl3-{[(4-methyl-1,2,5-oxadiazol-3-yl)carbonyl]amino}-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1nonc1C)cccc2
STK557272
Synonyms: N-(2,5-dimethoxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)-5-nitropyrimidine-4,6-diamine
Smiles: COc1ccc(cc1Nc1nc(nc(c1[N+](=O)[O-])N)N1CC(C)OC(C1)C)OC
STK557273
Synonyms: N~2~,N~2~-diethyl-5-nitro-6-(piperidin-1-yl)pyrimidine-2,4-diamine
Smiles: CCN(c1nc(N2CCCCC2)c(c(n1)N)[N+](=O)[O-])CC
STK557275
Synonyms: N'-[(1E)-1-(1,3-benzodioxol-5-yl)ethylidene]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
Smiles: O=C(CSc1nncn1C)N/N=C(/c1ccc2c(c1)OCO2)\C
STK557283
Synonyms: 6-(4-benzylpiperidin-1-yl)-N~2~-methyl-5-nitropyrimidine-2,4-diamine
Smiles: CNc1nc(N2CCC(CC2)Cc2ccccc2)c(c(n1)N)[N+](=O)[O-]
STK557287
Synonyms: N-(4-{[2-(pyridin-2-yl)quinazolin-4-yl]oxy}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)Oc1nc(nc2c1cccc2)c1ccccn1
STK557297
Synonyms: methyl4-({7-[(2-chloro-4-fluorobenzyl)oxy]-4-oxo-4H-chromen-3-yl}oxy)benzoate
Smiles: COC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OCc1ccc(cc1Cl)F
STK557301
Synonyms: 5-benzyl-3-(2-methylpropyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CC(CC1C2C(=O)N(C(=O)C2ON1c1ccccc1)Cc1ccccc1)C
STK557303
Synonyms: (2E)-2-{[(4-chlorophenyl)carbonyl]amino}-3-(3,4-diethoxyphenyl)prop-2-enoicacid
Smiles: CCOc1cc(ccc1OCC)/C=C(\C(=O)O)/NC(=O)c1ccc(cc1)Cl
STK845423
Synonyms: (2E)-N-[(2E)-3-cyano-10-methyl-1-(2-methylpropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-3-phenylprop-2-enamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)/C=C/c1ccccc1)CC(C)C)nc1n(c2=O)cccc1C
STK557312
Synonyms: 6-(4-benzylpiperazin-1-yl)-2-chloro-5-nitropyrimidin-4-amine
Smiles: Clc1nc(N2CCN(CC2)Cc2ccccc2)c(c(n1)N)[N+](=O)[O-]
STK845424
Synonyms: 2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-4-methylphenol
Smiles: Cc1ccc(c(c1)c1n[nH]c(c1)c1ccccc1F)O
STK845426
Synonyms: 3-(2-methoxyphenyl)-6-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: COc1ccccc1c1nnc2n1nc(s2)c1ccccc1
STK845427
Synonyms: N~2~-carbamoyl-N~2~-(4,6-dimethylpyrimidin-2-yl)-N-(4,5-diphenyl-1,3-oxazol-2-yl)glycinamide
Smiles: Cc1cc(C)nc(n1)N(C(=O)N)CC(=O)Nc1nc(c(o1)c1ccccc1)c1ccccc1
STK557328
Synonyms: 3-(4-tert-butylphenyl)-6-(thiophen-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CC(c1ccc(cc1)c1nnc2n1nc(s2)c1cccs1)(C)C
STK845429
Synonyms: 8-(butan-2-ylamino)-7-(4-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCC(Nc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C)C
STK557330
Synonyms: 4-[3-(3-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol
Smiles: COc1cccc(c1)c1nnc2n1N=C(CS2)c1ccc(c(c1)O)O
STK557334
Synonyms: 3-(4-chlorophenyl)-5-(2-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Clc1ccc(cc1)C1N(OC2C1C(=O)N(C2=O)c1ccccc1[N+](=O)[O-])c1ccccc1
STK557335
Synonyms: 2-[(3-ethyl-8,8-dimethyl-4-oxo-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
Smiles: CCn1c(SCC(=O)Nc2cccc(c2)C)nc2c(c1=O)cc1c(n2)CC(OC1)(C)C
STK557341
Synonyms: ethyl2-amino-1-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: CCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(cc1)S(=O)(=O)N
STK557343
Synonyms: N~4~-(3-fluorophenyl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: Cc1ccc(cc1)CNc1nc(N)c(c(n1)Nc1cccc(c1)F)[N+](=O)[O-]
STK557344
Synonyms: 4-bromo-2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]phenol
Smiles: Brc1ccc(c(c1)c1n[nH]c(c1)c1ccccc1Cl)O
STK557348
Synonyms: 3-(2,4-dichlorophenyl)-6-(4-ethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nn2c(s1)nnc2c1ccc(cc1Cl)Cl
STK557353
Synonyms: 3-[4-(ethoxycarbonyl)phenoxy]-4-oxo-2-(trifluoromethyl)-4H-chromen-7-ylmorpholine-4-carboxylate
Smiles: CCOC(=O)c1ccc(cc1)Oc1c(=O)c2ccc(cc2oc1C(F)(F)F)OC(=O)N1CCOCC1
STK845436
Synonyms: 4-(5-methyl-4-phenyl-1H-pyrazol-3-yl)benzene-1,3-diol
Smiles: Oc1ccc(c(c1)O)c1n[nH]c(c1c1ccccc1)C
STK557356
Synonyms: 2-{[7,7-dimethyl-2-(4-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}-N-phenylpropanamide
Smiles: O=C(C(Sc1nc(nc2c1COC(C2)(C)C)c1ccc(cc1)C)C)Nc1ccccc1
STK557362
Synonyms: 2-(pyridin-2-yl)-4-(pyrrolidin-1-yl)quinazoline
Smiles: c1ccc(nc1)c1nc2ccccc2c(n1)N1CCCC1
STK557363
Synonyms: 4-(4-hydroxyphenyl)-1-methyl-6-phenyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Smiles: Oc1ccc(cc1)C1NC(=O)N(C2=C1C(=O)N(C2)c1ccccc1)C
STK557367
Synonyms: N-[(2E)-3-cyano-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-3-nitrobenzamide
Smiles: COCCCn1/c(=N/C(=O)c2cccc(c2)[N+](=O)[O-])/c(C#N)cc2c1nc1c(C)cccn1c2=O
STK845439
Synonyms: methyl2-{[(E)-2-cyano-2-(1-methyl-1H-benzimidazol-2-yl)ethenyl]amino}benzoate
Smiles: COC(=O)c1ccccc1N/C=C(/c1nc2c(n1C)cccc2)\C#N
STK557376
Synonyms: 3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl4-nitrobenzoate
Smiles: COc1ccccc1c1c(=O)c2ccc(cc2oc1C(F)(F)F)OC(=O)c1ccc(cc1)[N+](=O)[O-]
STK557379
Synonyms: [3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl][(4-methylphenyl)sulfonyl]acetonitrile
Smiles: N#CC(S(=O)(=O)c1ccc(cc1)C)c1nc2ccccc2nc1N1CCN(CC1)CC
STK557382
Synonyms: (4aR,4bS,7aR,8S)-6-(1,3-benzodioxol-5-yl)-8-[(4-fluorophenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: Fc1ccc(cc1)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc2c(c1)OCO2
STK845440
Synonyms: 5-[(4-methoxybenzyl)amino]-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile
Smiles: COc1ccc(cc1)OCc1nc(c(o1)NCc1ccc(cc1)OC)C#N
STK557383
Synonyms: 6-[(2E)-2-(4-ethoxybenzylidene)hydrazinyl]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
Smiles: CCOc1ccc(cc1)/C=N/Nc1cc(=O)n(c(=O)n1C)C
STK557387
Synonyms: N~2~-(2,5-dimethoxyphenyl)-N~4~-(2-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: COc1ccc(c(c1)Nc1nc(N)c(c(n1)Nc1ccccc1OC)[N+](=O)[O-])OC
STK557388
Synonyms: 3-bromo-2-oxo-N'-[(2-phenylcyclopropyl)carbonyl]-2H-pyran-5-carbohydrazide
Smiles: O=C(C1CC1c1ccccc1)NNC(=O)c1coc(=O)c(c1)Br
STK557390
Synonyms: N-[(2E)-3-cyano-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-2-fluorobenzamide
Smiles: COCCCn1/c(=N/C(=O)c2ccccc2F)/c(C#N)cc2c1nc1c(C)cccn1c2=O
STK557392
Synonyms: N-(3-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)-5-nitropyrimidine-4,6-diamine
Smiles: CC1OC(C)CN(C1)c1nc(Nc2cccc(c2)Cl)c(c(n1)N)[N+](=O)[O-]
STK557397
Synonyms: N-(3-chlorophenyl)-5-nitro-2-(piperidin-1-yl)pyrimidine-4,6-diamine
Smiles: Clc1cccc(c1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCCCC1
STK557399
Synonyms: 2-[4-(4-fluorophenoxy)quinazolin-2-yl]phenol
Smiles: Fc1ccc(cc1)Oc1nc(nc2c1cccc2)c1ccccc1O
STK845442
Synonyms: N~4~-(3-fluorophenyl)-N~2~-[3-(morpholin-4-yl)propyl]-5-nitropyrimidine-2,4,6-triamine
Smiles: Fc1cccc(c1)Nc1nc(NCCCN2CCOCC2)nc(c1[N+](=O)[O-])N
STK557406
Synonyms: 7-[(2-chloro-6-fluorobenzyl)oxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-propyl-4H-chromen-4-one
Smiles: CCCc1cc2c(cc1OCc1c(F)cccc1Cl)occ(c2=O)c1ccc2c(c1)OCCCO2
STK557408
Synonyms: N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-3-carboxamide
Smiles: O=C(c1cccnc1)NC1(C(=O)Nc2c1c(=O)n(c(=O)n2C)C)C(F)(F)F
STK557411
Synonyms: N~2~-(4-ethoxyphenyl)-N~4~-(2-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: CCOc1ccc(cc1)Nc1nc(N)c(c(n1)Nc1ccccc1F)[N+](=O)[O-]
STK557412
Synonyms: ethyl(2Z)-1-(3-methoxypropyl)-10-methyl-5-oxo-2-{[(2E)-3-phenylprop-2-enoyl]imino}-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Smiles: COCCCn1/c(=N\C(=O)/C=C/c2ccccc2)/c(cc2c1nc1c(C)cccn1c2=O)C(=O)OCC
STK557416
Synonyms: N-(3-chlorophenyl)-2-[(3-ethyl-8,8-dimethyl-4-oxo-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Smiles: CCn1c(SCC(=O)Nc2cccc(c2)Cl)nc2c(c1=O)cc1c(n2)CC(OC1)(C)C
STK557419
Synonyms: 6-(4-ethylpiperazin-1-yl)-5-nitro-N~2~-phenylpyrimidine-2,4-diamine
Smiles: CCN1CCN(CC1)c1nc(Nc2ccccc2)nc(c1[N+](=O)[O-])N
STK557422
Synonyms: 6-(4-ethylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
Smiles: CCN1CCN(CC1)c1nc(nc(c1[N+](=O)[O-])N)N1CCC(CC1)C
STK557427
Synonyms: N~4~-(3-methylphenyl)-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine
Smiles: Cc1cccc(c1)Nc1nc(NCCc2ccccc2)nc(c1[N+](=O)[O-])N
STK557430
Synonyms: N-[(2Z)-3-cyano-10-methyl-1-(2-methylpropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-4-methylbenzamide
Smiles: N#Cc1cc2c(n(/c/1=N\C(=O)c1ccc(cc1)C)CC(C)C)nc1n(c2=O)cccc1C
STK557437
Synonyms: 2-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine
Smiles: CCN1CCN(CC1)c1nc(Nc2cccc(c2)C)c(c(n1)N)[N+](=O)[O-]
STK557442
Synonyms: ethyl(2Z)-2-{[(4-chlorophenyl)carbonyl]imino}-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Smiles: COCCCn1/c(=N\C(=O)c2ccc(cc2)Cl)/c(cc2c1nc1c(C)cccn1c2=O)C(=O)OCC
STK557449
Synonyms: (3S,3'S,3a'S,6a'R)-5'-(naphthalen-2-yl)-3'-(propan-2-yl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CC([C@@H]1N[C@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc3c(c1)cccc3)C(=O)Nc1c2cccc1)C
STK557451
Synonyms: 2-(azepan-1-yl)-N-(3,4-dimethylphenyl)-5-nitropyrimidine-4,6-diamine
Smiles: [O-][N+](=O)c1c(Nc2ccc(c(c2)C)C)nc(nc1N)N1CCCCCC1
STK557454
Synonyms: 3-{[4-(morpholin-4-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]amino}propan-1-ol
Smiles: OCCCNc1ncnc2c1sc1c2c2CCCc2c(n1)N1CCOCC1
STK845453
Synonyms: N-{4-[(difluoromethyl)sulfanyl]phenyl}-2-oxo-2H-chromene-3-carboxamide
Smiles: FC(Sc1ccc(cc1)NC(=O)c1cc2ccccc2oc1=O)F
STK557457
Synonyms: 10-(morpholin-4-yl)-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: O1CCN(CC1)c1nc2sc3c(c2c2c1CCC2)ncn1c3nnc1
STK845455
Synonyms: (2E)-2-(1,3-benzothiazol-2-yl)-3-[(3-methoxyphenyl)amino]prop-2-enenitrile
Smiles: COc1cccc(c1)N/C=C(/c1nc2c(s1)cccc2)\C#N
STK557459
Synonyms: 4-(7-methoxy-5H-pyrimido[5,4-b]indol-4-yl)piperazine-1-carboxamide
Smiles: COc1ccc2c(c1)[nH]c1c2ncnc1N1CCN(CC1)C(=O)N
STK557462
Synonyms: N~2~-(2,5-dimethoxyphenyl)-N~4~-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: COc1ccc(c(c1)Nc1nc(N)c(c(n1)Nc1ccc(c(c1)C)C)[N+](=O)[O-])OC
STK557464
Synonyms: N~4~-cyclohexyl-N~2~-(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: Fc1cccc(c1)Nc1nc(NC2CCCCC2)c(c(n1)N)[N+](=O)[O-]
STK557468
Synonyms: {[3-(2-methylpropyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetonitrile
Smiles: N#CCSc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)CCCCC3
STK845458
Synonyms: 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-ylmethanesulfonate
Smiles: Clc1ccc(cc1)c1coc2c(c1=O)ccc(c2)OS(=O)(=O)C
STK557481
Synonyms: 6-(biphenyl-4-yl)-3-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: COc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc(cc1)c1ccccc1
STK557483
Synonyms: (6aR,6bS,9aR,10S)-10-(furan-2-ylcarbonyl)-8-(4-methoxyphenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: COc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)c1ccco1
STK557498
Synonyms: N-[(2Z)-3-cyano-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-4-methylbenzamide
Smiles: COCCCn1/c(=N\C(=O)c2ccc(cc2)C)/c(C#N)cc2c1nc1c(C)cccn1c2=O
STK557514
Synonyms: (4aR,4bS,7aR,8S)-8-[(4-fluorophenyl)carbonyl]-6-(4-methoxyphenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccc(cc2)F)N=CC=C1
STK557516
Synonyms: 3-nitro-N-(5-oxo-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
Smiles: O=C1Nc2nc(nn2C(C1)c1ccccc1)NC(=O)c1cccc(c1)[N+](=O)[O-]
STK845462
Synonyms: 3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-(pyrrolidin-1-yl)propan-1-one
Smiles: O=C(N1CCCC1)CC(c1ccc(c(c1O)C)C)c1ccccc1
STK557520
Synonyms: 2-(3,5-dimethylpiperidin-1-yl)-5-nitro-6-(piperidin-1-yl)pyrimidin-4-amine
Smiles: CC1CC(C)CN(C1)c1nc(N)c(c(n1)N1CCCCC1)[N+](=O)[O-]
STK845463
Synonyms: 3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-ylmorpholine-4-carboxylate
Smiles: COc1cccc(c1)Oc1c(=O)c2ccc(cc2oc1C(F)(F)F)OC(=O)N1CCOCC1
STK557527
Synonyms: 2-methyl-1-(piperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline
Smiles: CN1CCc2c(C1C1CCNCC1)cccc2
STK845466
Synonyms: 5-nitro-N~4~-phenyl-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1Nc1ccccc1)NCCc1ccccc1
STK557532
Synonyms: N~2~-(3,4-dimethylphenyl)-6-(morpholin-4-yl)-5-nitropyrimidine-2,4-diamine
Smiles: Cc1cc(ccc1C)Nc1nc(N)c(c(n1)N1CCOCC1)[N+](=O)[O-]
STK557534
Synonyms: 6-(4-ethoxyphenyl)-3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccccc1
STK557536
Synonyms: N~2~-(butan-2-yl)-N~4~-(3-methylphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: CCC(Nc1nc(Nc2cccc(c2)C)c(c(n1)N)[N+](=O)[O-])C
STK557537
Synonyms: 6-(naphthalen-2-yl)-3-(pyridin-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: c1ccc(nc1)c1nnc2n1N=C(CS2)c1ccc2c(c1)cccc2
STK557545
Synonyms: 6,6-dimethyl-4-(methylsulfanyl)-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CCCSc1nc(SC)c2c(n1)sc1c2CC(OC1)(C)C
STK557547
Synonyms: N~2~-(4-chlorobenzyl)-N~4~-(4-ethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: CCOc1ccc(cc1)Nc1nc(NCc2ccc(cc2)Cl)nc(c1[N+](=O)[O-])N
STK557550
Synonyms: (3aR,6aS)-5-(4-chlorophenyl)-3-(3-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: Clc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C(=NO2)c1cccc(c1)[N+](=O)[O-]
STK557551
Synonyms: 7-[(2-chloro-6-fluorobenzyl)oxy]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-6-propyl-4H-chromen-4-one
Smiles: CCCc1cc2c(cc1OCc1c(F)cccc1Cl)oc(c(c2=O)c1ccc2c(c1)OCCO2)C
STK557555
Synonyms: N-[(2E)-3-cyano-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-2,6-difluorobenzamide
Smiles: COCCCn1/c(=N/C(=O)c2c(F)cccc2F)/c(C#N)cc2c1nc1c(C)cccn1c2=O
STK845469
Synonyms: 2-({[5-(phenylamino)-1,3,4-thiadiazol-2-yl]methyl}sulfanyl)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: Nc1nc(SCc2nnc(s2)Nc2ccccc2)nc2c1c1CCCc1s2
STK557567
Synonyms: 3-(2-methylpropyl)-5-(4-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CC(CC1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1)C
STK557574
Synonyms: N-[(2E)-3-cyano-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]furan-2-carboxamide
Smiles: COCCCn1/c(=N/C(=O)c2ccco2)/c(C#N)cc2c1nc1c(C)cccn1c2=O
STK557575
Synonyms: 3-(4-chlorophenyl)-6-(4-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccc(cc1)Cl
STK557576
Synonyms: 2-ethyl4-methyl5-(4,6-dioxo-2-phenyl-3-propylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl)-3-methylthiophene-2,4-dicarboxylate
Smiles: CCCC1N(OC2C1C(=O)N(C2=O)c1sc(c(c1C(=O)OC)C)C(=O)OCC)c1ccccc1
STK557582
Synonyms: 2-(4-bromophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carbonitrile
Smiles: N#CC1(CCC(=O)N1c1ccc(cc1)OC)c1ccc(cc1)Br
STK845473
Synonyms: 6-(2-chlorophenyl)-3-(2-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: COc1ccccc1c1nnc2n1nc(s2)c1ccccc1Cl
STK557591
Synonyms: ethyl5-{[(2-fluorophenyl)carbonyl]oxy}-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(cc2)OC(=O)c1ccccc1F)c1ccc(cc1)OC
STK557592
Synonyms: 2-chloro-N-(4-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine
Smiles: CCOc1ccc(cc1)Nc1nc(Cl)nc(c1[N+](=O)[O-])N
STK845474
Synonyms: N~4~-(3-chlorophenyl)-N~2~,N~2~-diethyl-5-nitropyrimidine-2,4,6-triamine
Smiles: CCN(c1nc(Nc2cccc(c2)Cl)c(c(n1)N)[N+](=O)[O-])CC
STK557599
Synonyms: 2-(phenoxymethyl)-5-[(1-phenylethyl)amino]-1,3-oxazole-4-carbonitrile
Smiles: N#Cc1nc(oc1NC(c1ccccc1)C)COc1ccccc1
STK557602
Synonyms: 2-(pyridin-3-yl)-1,2,3,5,6,7-hexahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: O=C1NC(Nc2c1c1CCCc1s2)c1cccnc1
STK557605
Synonyms: (6Z)-5-imino-6-[4-(naphthalen-1-ylmethoxy)benzylidene]-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(cc1)OCc1cccc2c1cccc2)c1cccnc1
STK557608
Synonyms: ethyl2-imino-5-oxo-1-pentyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Smiles: CCCCCn1c(=N)c(cc2c1nc1ccccn1c2=O)C(=O)OCC
STK845476
Synonyms: N~4~-(3,4-dimethylphenyl)-N~2~-[3-(morpholin-4-yl)propyl]-5-nitropyrimidine-2,4,6-triamine
Smiles: Cc1cc(ccc1C)Nc1nc(NCCCN2CCOCC2)nc(c1[N+](=O)[O-])N
STK557611
Synonyms: 10-ethyl-3-(ethylsulfanyl)-10-methyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC)nn2)CC(OC3)(C)CC
STK845479
Synonyms: 3-(phenoxymethyl)-6-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: COc1cc(cc(c1OC)OC)c1nn2c(s1)nnc2COc1ccccc1
STK557617
Synonyms: 2-(6-fluoro-2-methyl-3,4-dihydroquinolin-1(2H)-yl)-1-(8-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethanone
Smiles: Fc1ccc2c(c1)CCC(N2CC(=O)N1CCc2c(C1)c1cc(C)ccc1[nH]2)C
STK557620
Synonyms: 2-(4-{[2-(diethylamino)ethyl]amino}quinazolin-2-yl)phenol
Smiles: CCN(CCNc1nc(nc2c1cccc2)c1ccccc1O)CC
STK845481
Synonyms: 7-(4-chlorobenzyl)-1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)Cn1c(SCCN2CCOCC2)nc2c1c(=O)n(c(=O)n2C)C
STK557624
Synonyms: 6-(4-tert-butylphenyl)-3-(3-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Clc1cccc(c1)c1nnc2n1nc(s2)c1ccc(cc1)C(C)(C)C
STK557626
Synonyms: N-[(2E)-3-cyano-10-methyl-1-(2-methylpropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-2-methyl-3-nitrobenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1cccc(c1C)[N+](=O)[O-])CC(C)C)nc1n(c2=O)cccc1C
STK557633
Synonyms: ethyl(2Z)-1-(3-methoxypropyl)-10-methyl-2-{[(2-methyl-3-nitrophenyl)carbonyl]imino}-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Smiles: COCCCn1/c(=N\C(=O)c2cccc(c2C)[N+](=O)[O-])/c(cc2c1nc1c(C)cccn1c2=O)C(=O)OCC
STK557637
Synonyms: 3-(3-chlorophenyl)-6-(4-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: COc1ccc(cc1)c1nn2c(s1)nnc2c1cccc(c1)Cl
STK557642
Synonyms: N~2~-benzyl-N~4~-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1Nc1ccc(c(c1)C)C)NCc1ccccc1
STK557648
Synonyms: (2E)-3-(3,4-diethoxyphenyl)-2-{[(2-methoxyphenyl)carbonyl]amino}prop-2-enoicacid
Smiles: CCOc1cc(ccc1OCC)/C=C(\C(=O)O)/NC(=O)c1ccccc1OC
STK557652
Synonyms: methyl4-({7-[(4-chlorobenzyl)oxy]-4-oxo-4H-chromen-3-yl}oxy)benzoate
Smiles: COC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OCc1ccc(cc1)Cl
STK557657
Synonyms: 4-(3-methylpiperidin-1-yl)-2-(pyridin-2-yl)quinazoline
Smiles: CC1CCCN(C1)c1nc(nc2c1cccc2)c1ccccn1
STK845488
Synonyms: 1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-methyl-1H-pyrazol-5-amine
Smiles: Cc1nn(c(c1)N)C1CCOC(C1)(C)C
STK557658
Synonyms: 2-[2-(benzyloxy)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carbonitrile
Smiles: N#CC1(CCC(=O)N1c1ccc(cc1)OC)c1ccccc1OCc1ccccc1
STK557660
Synonyms: 4,7,7-trimethyl-N-[3-(morpholin-4-yl)propyl]-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
Smiles: O=C(C12CCC(C2(C)C)(C(=O)O1)C)NCCCN1CCOCC1
STK557664
Synonyms: (2E)-2-(1,3-benzothiazol-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc2c(c1)OCCO2)/c1nc2c(s1)cccc2
STK557670
Synonyms: 1-[(4-butyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)amino]propan-2-ol
Smiles: CCCCc1nc2sc3c(c2c2c1CCC2)ncnc3NCC(O)C
STK557673
Synonyms: N-[(2Z)-3-cyano-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-2-methylbenzamide
Smiles: COCCCn1/c(=N\C(=O)c2ccccc2C)/c(C#N)cc2c1nc1c(C)cccn1c2=O
STK557681
Synonyms: N-[(2E)-3-cyano-10-methyl-5-oxo-1-(propan-2-yl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-3,4-dimethylbenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccc(c(c1)C)C)C(C)C)nc1n(c2=O)cccc1C
STK557682
Synonyms: (2Z)-2-cyano-N-(3-methylphenyl)-2-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]ethanamide
Smiles: N#C/C(=C\1/SCC(=O)N1c1ccc(cc1)C)/C(=O)Nc1cccc(c1)C
STK557686
Synonyms: N-(2,6-dimethylphenyl)-2-[(3-methoxy-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide
Smiles: COn1c(SCC(=O)Nc2c(C)cccc2C)nc2c(c1=O)cccc2
STK845490
Synonyms: 3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-ylthiophene-2-carboxylate
Smiles: O=c1oc2cc(ccc2cc1c1nc2c(s1)cccc2)OC(=O)c1cccs1
STK557688
Synonyms: 5-[(2-chloro-6-fluorobenzyl)oxy]-2-[4-(2-methoxyphenyl)-1H-pyrazol-3-yl]phenol
Smiles: COc1ccccc1c1c[nH]nc1c1ccc(cc1O)OCc1c(F)cccc1Cl
STK557699
Synonyms: 3-(2-methoxyphenyl)-2,5-diphenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1ccccc1C1N(OC2C1C(=O)N(C2=O)c1ccccc1)c1ccccc1
STK845493
Synonyms: 6-(4-benzylpiperidin-1-yl)-5-nitro-N~2~-(tetrahydrofuran-2-ylmethyl)pyrimidine-2,4-diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCC(CC1)Cc1ccccc1)NCC1CCCO1
STK557705
Synonyms: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-methoxy-5H-pyrimido[5,4-b]indole
Smiles: COc1ccc2c(c1)[nH]c1c2ncnc1N1CCN(CC1)Cc1ccc2c(c1)OCO2
STK557710
Synonyms: 5-nitro-N~4~-phenyl-N~2~-(tetrahydrofuran-2-ylmethyl)pyrimidine-2,4,6-triamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1Nc1ccccc1)NCC1CCCO1
STK557712
Synonyms: N~2~-(4-methylbenzyl)-N~4~-(4-methylphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: Cc1ccc(cc1)CNc1nc(Nc2ccc(cc2)C)c(c(n1)N)[N+](=O)[O-]
STK557713
Synonyms: N~4~-(4-fluorophenyl)-N~2~-methyl-5-nitropyrimidine-2,4,6-triamine
Smiles: CNc1nc(Nc2ccc(cc2)F)c(c(n1)N)[N+](=O)[O-]
STK557715
Synonyms: N~4~-(4-ethoxyphenyl)-5-nitro-N~2~-(prop-2-en-1-yl)pyrimidine-2,4,6-triamine
Smiles: C=CCNc1nc(Nc2ccc(cc2)OCC)c(c(n1)N)[N+](=O)[O-]
STK845496
Synonyms: 5,7-dihydroxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)-4H-chromen-4-one
Smiles: COc1ccc(cc1)c1c(=O)c2c(O)cc(cc2oc1C(F)(F)F)O
STK845497
Synonyms: N~4~-cyclohexyl-N~2~-(3-methylbutyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: CC(CCNc1nc(NC2CCCCC2)c(c(n1)N)[N+](=O)[O-])C
STK557718
Synonyms: 4-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-ol3-oxide
Smiles: O/N=C/c1cn(c[n+]1[O-])O
STK557722
Synonyms: (2Z)-2-cyano-N-(2-methylphenyl)-2-[3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]ethanamide
Smiles: N#C/C(=C\1/SCC(=O)N1c1ccccc1C)/C(=O)Nc1ccccc1C
STK557724
Synonyms: 5-(4-butoxyphenyl)-3-(4-chlorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1)Cl
STK557725
Synonyms: N-(2,5-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine
Smiles: CCN1CCN(CC1)c1nc(Nc2cc(OC)ccc2OC)c(c(n1)N)[N+](=O)[O-]
STK845499
Synonyms: N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]-2-methylbenzamide
Smiles: N#CC1=C(C)NC(=O)C1(NC(=O)c1ccccc1C)C(F)(F)F
STK557727
Synonyms: N~4~-(3-chlorophenyl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: Cc1ccc(cc1)CNc1nc(N)c(c(n1)Nc1cccc(c1)Cl)[N+](=O)[O-]
STK845501
Synonyms: N~2~-(2-methoxyethyl)-6-(morpholin-4-yl)-5-nitropyrimidine-2,4-diamine
Smiles: COCCNc1nc(N2CCOCC2)c(c(n1)N)[N+](=O)[O-]
STK557732
Synonyms: N~4~-cyclohexyl-N~2~-(4-ethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: CCOc1ccc(cc1)Nc1nc(N)c(c(n1)NC1CCCCC1)[N+](=O)[O-]
STK557733
Synonyms: N~2~-(4-methylbenzyl)-5-nitro-N~4~-(tetrahydrofuran-2-ylmethyl)pyrimidine-2,4,6-triamine
Smiles: Cc1ccc(cc1)CNc1nc(N)c(c(n1)NCC1CCCO1)[N+](=O)[O-]
STK845503
Synonyms: N-(4-ethoxyphenyl)-5-nitro-2-(piperidin-1-yl)pyrimidine-4,6-diamine
Smiles: CCOc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCCCC1
STK557742
Synonyms: 2-bromo-N-[(2E)-1-butyl-3-cyano-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]benzamide
Smiles: CCCCn1/c(=N/C(=O)c2ccccc2Br)/c(C#N)cc2c1nc1c(C)cccn1c2=O
STK557744
Synonyms: (2E)-3-(1,3-benzodioxol-5-ylamino)-2-(1,3-benzothiazol-2-yl)prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc2c(c1)OCO2)/c1nc2c(s1)cccc2
STK557745
Synonyms: 4-(3-ethylphenoxy)-2-(pyridin-4-yl)quinazoline
Smiles: CCc1cccc(c1)Oc1nc(nc2c1cccc2)c1ccncc1
STK557749
Synonyms: 2-(4-benzylpiperidin-1-yl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-4-amine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCC1)N1CCC(CC1)Cc1ccccc1
STK557750
Synonyms: 6-(1,3-benzodioxol-5-yl)-3-(pyridin-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: n1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc2c(c1)OCO2
STK845505
Synonyms: 7-hydroxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)-4H-chromen-4-one
Smiles: COc1ccc(cc1)c1c(=O)c2ccc(cc2oc1C(F)(F)F)O
STK845506
Synonyms: (5Z)-2-(4-acetylpiperazin-1-yl)-5-(2-chlorobenzylidene)-1,3-thiazol-4(5H)-one
Smiles: CC(=O)N1CCN(CC1)C1=NC(=O)/C(=C/c2ccccc2Cl)/S1
STK557756
Synonyms: 6-(4-chlorophenyl)-3-(pyridin-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Clc1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccccn1
STK845508
Synonyms: ethyl7-[(4-fluorobenzyl)oxy]-3-(2-methoxyphenyl)-4-oxo-4H-chromene-2-carboxylate
Smiles: CCOC(=O)c1oc2cc(OCc3ccc(cc3)F)ccc2c(=O)c1c1ccccc1OC
STK845509
Synonyms: N-[1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-2,2-dimethylpropanamide
Smiles: O=C(C(C)(C)C)NC1(C(=O)N(C2=C1C(=O)CC(C2)(C)C)Cc1ccccc1)C(F)(F)F
STK557766
Synonyms: (2E)-3-(4-bromophenyl)-N-({2-[(3,4,5-trimethoxyphenyl)carbonyl]hydrazinyl}carbonothioyl)prop-2-enamide
Smiles: COc1cc(cc(c1OC)OC)C(=O)NNC(=S)NC(=O)/C=C/c1ccc(cc1)Br
STK557769
Synonyms: N~2~-benzyl-N~4~-cyclohexyl-N~2~-methyl-5-nitropyrimidine-2,4,6-triamine
Smiles: CN(c1nc(NC2CCCCC2)c(c(n1)N)[N+](=O)[O-])Cc1ccccc1
STK845511
Synonyms: (2E)-2-(1,3-benzothiazol-2-yl)-3-(3-fluorophenyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cccc(c1)F)/c1nc2c(s1)cccc2
STK557780
Synonyms: N-[(2E)-3-cyano-10-methyl-1-(2-methylpropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]furan-2-carboxamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccco1)CC(C)C)nc1n(c2=O)cccc1C
STK845513
Synonyms: 6-(azepan-1-yl)-N~2~-[2-(morpholin-4-yl)ethyl]-5-nitropyrimidine-2,4-diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCCCC1)NCCN1CCOCC1
STK557788
Synonyms: 7-(3-nitrophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: [O-][N+](=O)c1cccc(c1)C1C=C(Nc2n1ncn2)c1ccccc1
STK557789
Synonyms: 10-ethyl-10-methyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1cnn2)CC(OC3)(C)CC
STK845517
Synonyms: 2-[4-(2-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-methoxyphenol
Smiles: CCc1cc(c(cc1OC)O)c1n[nH]c(c1c1ccccc1Cl)C
STK557794
Synonyms: (2E)-N-[(2E)-1-butyl-3-cyano-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-3-phenylprop-2-enamide
Smiles: CCCCn1/c(=N/C(=O)/C=C/c2ccccc2)/c(C#N)cc2c1nc1c(C)cccn1c2=O
STK557797
Synonyms: 1-(3-chlorophenyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinane-2-thione
Smiles: Clc1cccc(c1)N1CN(CNC1=S)Cc1cccnc1
STK845519
Synonyms: 7-(4-chlorobenzyl)-1,3-dimethyl-8-(prop-2-en-1-ylamino)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCNc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C
STK557806
Synonyms: 4-[3-(4-tert-butylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylaniline
Smiles: CN(c1ccc(cc1)c1nn2c(s1)nnc2c1ccc(cc1)C(C)(C)C)C
STK557811
Synonyms: 6-(azepan-1-yl)-2-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine
Smiles: CCN1CCN(CC1)c1nc(N)c(c(n1)N1CCCCCC1)[N+](=O)[O-]
STK557812
Synonyms: 4-hydrazinyl-6,8-diphenyl-5,8-dihydro-6H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: NNc1ncnc2c1c1CC(SC(c1s2)c1ccccc1)c1ccccc1
STK557816
Synonyms: N~2~,N~4~-bis(4-ethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: CCOc1ccc(cc1)Nc1nc(Nc2ccc(cc2)OCC)c(c(n1)N)[N+](=O)[O-]
STK557818
Synonyms: N~2~-(3,4-dimethylphenyl)-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine
Smiles: CC1CCN(CC1)c1nc(Nc2ccc(c(c2)C)C)nc(c1[N+](=O)[O-])N
STK557819
Synonyms: 6-(4-methylpiperidin-1-yl)-5-nitro-N~2~-(tetrahydrofuran-2-ylmethyl)pyrimidine-2,4-diamine
Smiles: CC1CCN(CC1)c1nc(NCC2CCCO2)nc(c1[N+](=O)[O-])N
STK557820
Synonyms: N-[(2E)-3-cyano-10-methyl-5-oxo-1-(propan-2-yl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]pyridine-4-carboxamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccncc1)C(C)C)nc1n(c2=O)cccc1C
STK557821
Synonyms: 2-[(2,4-dichlorobenzyl)sulfanyl]-3-ethyl-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CCn1c(SCc2ccc(cc2Cl)Cl)nc2c(c1=O)c1CCN(Cc1s2)C
STK845524
Synonyms: N~2~-(butan-2-yl)-5-nitro-N~4~-phenylpyrimidine-2,4,6-triamine
Smiles: CCC(Nc1nc(Nc2ccccc2)c(c(n1)N)[N+](=O)[O-])C
STK845525
Synonyms: 3-(furan-2-ylmethyl)-8,8-dimethyl-2-propyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Smiles: CCCc1nc2c3cc4COC(Cc4nc3sc2c(=O)n1Cc1ccco1)(C)C
STK557829
Synonyms: N-cyclohexyl-2-(morpholin-4-yl)-5-nitropyrimidine-4,6-diamine
Smiles: [O-][N+](=O)c1c(NC2CCCCC2)nc(nc1N)N1CCOCC1
STK845529
Synonyms: 2-(2,6-dimethylmorpholin-4-yl)-N-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine
Smiles: CC1OC(C)CN(C1)c1nc(Nc2cccc(c2)F)c(c(n1)N)[N+](=O)[O-]
STK557833
Synonyms: 1-(diphenylmethyl)-5-(1H-imidazol-1-yl)-3-nitro-1H-1,2,4-triazole
Smiles: [O-][N+](=O)c1nn(c(n1)n1cncc1)C(c1ccccc1)c1ccccc1
STK557838
Synonyms: 6-(4-ethoxyphenyl)-3-(3-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)C1=Nn2c(SC1)nnc2c1cccc(c1)C
STK557840
Synonyms: (5-methoxy-2-methyl-1-phenyl-1H-indol-3-yl)(4-methylpiperazin-1-yl)methanone
Smiles: COc1ccc2c(c1)c(C(=O)N1CCN(CC1)C)c(n2c1ccccc1)C
STK557841
Synonyms: (5Z)-5-(2,5-dimethoxybenzylidene)-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione
Smiles: COc1ccc(cc1/C=C/1\SC(=O)N(C1=O)c1ccc(cc1)O)OC
STK557843
Synonyms: 1-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol
Smiles: COc1ccc2c(c1)c(C(CN1CCN(CC1)c1ccccc1OC)O)c(n2Cc1ccccc1)C
STK557853
Synonyms: 2-[cyclohexyl(methyl)amino]-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
Smiles: COc1ccc2c(c1)c(C(=O)CN(C1CCCCC1)C)c([nH]2)C
STK557854
Synonyms: 2-oxo-N-(pyridin-2-ylmethyl)-2H-pyran-5-carboxamide
Smiles: O=c1ccc(co1)C(=O)NCc1ccccn1
STK557855
Synonyms: 8-amino-7-methyl-3-(2-phenylethyl)benzo[g]pteridine-2,4(3H,10H)-dione
Smiles: Nc1cc2[nH]c3nc(=O)n(c(=O)c3nc2cc1C)CCc1ccccc1
STK557856
Synonyms: 3-{[(E)-(4-chlorophenyl)methylidene]amino}-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)/N=C/c1ccc(cc1)Cl
STK557857
Synonyms: N~2~-[3-(dimethylamino)propyl]-5-nitro-6-(piperidin-1-yl)pyrimidine-2,4-diamine
Smiles: CN(CCCNc1nc(N)c(c(n1)N1CCCCC1)[N+](=O)[O-])C
STK557860
Synonyms: N~2~-cyclohexyl-N~4~-(2-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: COc1ccccc1Nc1nc(NC2CCCCC2)nc(c1[N+](=O)[O-])N
STK845531
Synonyms: N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]thiophene-2-carboxamide
Smiles: O=C(c1cccs1)NC1(C(=O)Nc2c1c(=O)n(c(=O)n2C)C)C(F)(F)F
STK557865
Synonyms: 6-(4-ethoxyphenyl)-3-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccc(cc1)C
STK557867
Synonyms: 2-[(3-ethyl-8,8-dimethyl-4-oxo-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide
Smiles: CCn1c(SCC(=O)Nc2ccccc2C)nc2c(c1=O)cc1c(n2)CC(OC1)(C)C
STK557871
Synonyms: 6-(azepan-1-yl)-2-chloro-5-nitropyrimidin-4-amine
Smiles: Clc1nc(N2CCCCCC2)c(c(n1)N)[N+](=O)[O-]
STK557873
Synonyms: 7-cyclohexyl-3,8-dihydroxy-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-one
Smiles: OC1CSc2n(C1)c(=O)c(c(n2)O)C1CCCCC1
STK557878
Synonyms: N-{4-amino-6-[(3,4-dimethylphenyl)amino]-5-nitropyrimidin-2-yl}glycine
Smiles: OC(=O)CNc1nc(Nc2ccc(c(c2)C)C)c(c(n1)N)[N+](=O)[O-]
STK845537
Synonyms: (2E)-2-(1,3-benzoxazol-2-yl)-3-(2,5-dimethoxyphenyl)prop-2-enenitrile
Smiles: COc1ccc(c(c1)/C=C(/c1nc2c(o1)cccc2)\C#N)OC
STK557891
Synonyms: N~2~-(butan-2-yl)-N~4~-(4-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: CCC(Nc1nc(Nc2ccc(cc2)F)c(c(n1)N)[N+](=O)[O-])C
STK557896
Synonyms: N-[(2E)-3-cyano-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-2-ethoxybenzamide
Smiles: COCCCn1/c(=N/C(=O)c2ccccc2OCC)/c(C#N)cc2c1nc1c(C)cccn1c2=O
STK557903
Synonyms: 2-methoxy-6-(4-{[2-(morpholin-4-yl)ethyl]amino}quinazolin-2-yl)phenol
Smiles: COc1cccc(c1O)c1nc(NCCN2CCOCC2)c2c(n1)cccc2
STK557907
Synonyms: N'-[(E)-(2-hydroxyphenyl)methylidene]-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
Smiles: O=C(Cn1nccc1C)N/N=C/c1ccccc1O
STK557909
Synonyms: (5Z)-5-(3-fluorobenzylidene)-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione
Smiles: Oc1ccc(cc1)N1C(=O)S/C(=C\c2cccc(c2)F)/C1=O
STK557910
Synonyms: 2-[4-(propan-2-yloxy)phenyl]-1,2,3,5,6,7-hexahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CC(Oc1ccc(cc1)C1NC(=O)c2c(N1)sc1c2CCC1)C
STK845541
Synonyms: 7-(2-fluorophenyl)-5-(4-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
Smiles: COc1ccc(cc1)C1=CC(n2c(N1)nnn2)c1ccccc1F
STK557923
Synonyms: 2-oxo-N-(pyridin-4-ylmethyl)-2H-pyran-5-carboxamide
Smiles: O=c1ccc(co1)C(=O)NCc1ccncc1
STK557926
Synonyms: 6-ethyl-N-(2-methoxyethyl)-6-methyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: COCCNc1nc(SCCC)nc2c1c1CC(C)(CC)OCc1s2
STK557927
Synonyms: 6-tert-butyl-3-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Cc1ccc(cc1)c1nnc2n1N=C(CS2)C(C)(C)C
STK557930
Synonyms: 3-(3-ethoxyphenyl)-6-(thiophen-2-ylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nnc2n1nc(s2)Cc1cccs1
STK557931
Synonyms: ethyl(2Z)-1-(3-methoxypropyl)-10-methyl-5-oxo-2-[(pyridin-4-ylcarbonyl)imino]-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Smiles: COCCCn1/c(=N\C(=O)c2ccncc2)/c(cc2c1nc1c(C)cccn1c2=O)C(=O)OCC
STK557932
Synonyms: N~4~-(3-chlorophenyl)-N~2~-[3-(morpholin-4-yl)propyl]-5-nitropyrimidine-2,4,6-triamine
Smiles: Clc1cccc(c1)Nc1nc(NCCCN2CCOCC2)nc(c1[N+](=O)[O-])N
STK557941
Synonyms: N~4~-(4-methylphenyl)-N~2~-[3-(morpholin-4-yl)propyl]-5-nitropyrimidine-2,4,6-triamine
Smiles: Cc1ccc(cc1)Nc1nc(NCCCN2CCOCC2)nc(c1[N+](=O)[O-])N
STK557951
Synonyms: N~4~-benzyl-N~2~-(4-chlorobenzyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: Clc1ccc(cc1)CNc1nc(NCc2ccccc2)c(c(n1)N)[N+](=O)[O-]
STK845546
Synonyms: 8-[(furan-2-ylmethyl)amino]-1,3-dimethyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCn1c(NCc2ccco2)nc2c1c(=O)n(c(=O)n2C)C
STK557959
Synonyms: N-[(2E)-3-cyano-1-(furan-2-ylmethyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-3-nitrobenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1cccc(c1)[N+](=O)[O-])Cc1ccco1)nc1n(c2=O)cccc1C
STK557960
Synonyms: 3-(4-tert-butylphenyl)-6-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CC(c1ccc(cc1)c1nnc2n1nc(s2)COc1ccccc1)(C)C
STK557963
Synonyms: N-[(2E)-3-cyano-1-(furan-2-ylmethyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-4-fluorobenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccc(cc1)F)Cc1ccco1)nc1n(c2=O)cccc1C
STK557970
Synonyms: 2-{4-[(2-hydroxyethyl)amino]quinazolin-2-yl}-6-methoxyphenol
Smiles: OCCNc1nc(nc2c1cccc2)c1cccc(c1O)OC
STK557971
Synonyms: 2-(4-benzylpiperazin-1-yl)-N-(4-methylphenyl)-5-nitropyrimidine-4,6-diamine
Smiles: Cc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCN(CC1)Cc1ccccc1
STK557976
Synonyms: ethyl7-[(2-fluorobenzyl)oxy]-3-(4-methoxyphenyl)-4-oxo-4H-chromene-2-carboxylate
Smiles: CCOC(=O)c1oc2cc(OCc3ccccc3F)ccc2c(=O)c1c1ccc(cc1)OC
STK845553
Synonyms: N~1~-[(E)-(3,4-dimethoxyphenyl)methylidene]-1H-tetrazole-1,5-diamine
Smiles: COc1cc(ccc1OC)/C=N/n1nnnc1N
STK557982
Synonyms: N~2~-(4-methylbenzyl)-5-nitro-N~4~-phenylpyrimidine-2,4,6-triamine
Smiles: Cc1ccc(cc1)CNc1nc(N)c(c(n1)Nc1ccccc1)[N+](=O)[O-]
STK845554
Synonyms: 2-oxo-3-(quinolin-2-yl)-2H-chromen-7-yl2,2-dimethylpropanoate
Smiles: O=C(C(C)(C)C)Oc1ccc2c(c1)oc(=O)c(c2)c1ccc2c(n1)cccc2
STK557985
Synonyms: 10,10-dimethyl-3-[(2-methylprop-2-en-1-yl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-5-amine
Smiles: CC(=C)CSc1nnc2n1c(N)nc1c2c2CC(C)(C)OCc2s1
STK845558
Synonyms: 4-[4-(4-chlorophenyl)-1H-pyrazol-3-yl]benzene-1,3-diol
Smiles: Clc1ccc(cc1)c1c[nH]nc1c1ccc(cc1O)O
STK845559
Synonyms: 3-(1-methyl-1H-benzimidazol-2-yl)-2-oxo-2H-chromen-7-yl2,2-dimethylpropanoate
Smiles: Cn1c(nc2c1cccc2)c1cc2ccc(cc2oc1=O)OC(=O)C(C)(C)C
STK557992
Synonyms: 2,4-dichloro-N-[(2E)-3-cyano-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]benzamide
Smiles: COCCCn1/c(=N/C(=O)c2ccc(cc2Cl)Cl)/c(C#N)cc2c1nc1c(C)cccn1c2=O
STK845560
Synonyms: N~2~-[2-(morpholin-4-yl)ethyl]-5-nitro-N~4~-phenylpyrimidine-2,4,6-triamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1Nc1ccccc1)NCCN1CCOCC1
STK845561
Synonyms: 3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-4H-chromen-7-yl3-methoxybenzoate
Smiles: COc1cccc(c1)C(=O)Oc1ccc2c(c1C)occ(c2=O)c1nc2c(s1)cccc2
STK557999
Synonyms: 6-(4-benzylpiperidin-1-yl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4-diamine
Smiles: Cc1ccc(cc1)CNc1nc(N2CCC(CC2)Cc2ccccc2)c(c(n1)N)[N+](=O)[O-]
STK845562
Synonyms: 2-[(2-methoxyphenoxy)methyl]-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
Smiles: COc1ccc(cc1)N1CCN(CC1)c1oc(nc1C#N)COc1ccccc1OC
STK558005
Synonyms: 6-(1,3-benzodioxol-5-yl)-3-(furan-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: c1coc(c1)c1nnc2n1N=C(CS2)c1ccc2c(c1)OCO2
STK845563
Synonyms: 8-[benzyl(methyl)amino]-1,3-dimethyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCn1c(nc2c1c(=O)n(c(=O)n2C)C)N(Cc1ccccc1)C
STK801753
Synonyms: quinoline-5,6-diamine
Smiles: Nc1ccc2c(c1N)cccn2
STK558015
Synonyms: 7-[(2-chloro-6-fluorobenzyl)oxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-6-propyl-4H-chromen-4-one
Smiles: CCCc1cc2c(cc1OCc1c(F)cccc1Cl)oc(c(c2=O)c1ccc2c(c1)OCCCO2)C
STK845565
Synonyms: ethyl5-{2-oxo-2-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]ethoxy}-2-phenyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCC(=O)N/N=C/c1ccccn1)cc2)c1ccccc1
STK558021
Synonyms: N'-[(E)-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
Smiles: CCn1nc(c(c1C)/C=N/NC(=O)Cn1nccc1C)C
STK558026
Synonyms: 1-cycloheptyl-4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-3-ol
Smiles: Cc1cc(C)c2c(n1)n(nc2O)C1CCCCCC1
STK558032
Synonyms: N~1~-[(E)-(6-methylpyridin-2-yl)methylidene]-1H-tetrazole-1,5-diamine
Smiles: Cc1cccc(n1)/C=N/n1nnnc1N
STK558035
Synonyms: 2-[4-(4-chlorophenyl)-1H-pyrazol-3-yl]-5-[(2,4-dichlorobenzyl)oxy]phenol
Smiles: Clc1ccc(cc1)c1c[nH]nc1c1ccc(cc1O)OCc1ccc(cc1Cl)Cl
STK558037
Synonyms: N~2~-benzyl-N~4~-(3-fluorophenyl)-N~2~-methyl-5-nitropyrimidine-2,4,6-triamine
Smiles: Fc1cccc(c1)Nc1nc(nc(c1[N+](=O)[O-])N)N(Cc1ccccc1)C
STK558043
Synonyms: 1,2,4,5-tetrazine-3,6-diamine1,4-dioxide
Smiles: Nc1n[n+]([O-])c(n[n+]1[O-])N
STK558045
Synonyms: 6-(4-ethylpiperazin-1-yl)-N~2~-(2-methylpropyl)-5-nitropyrimidine-2,4-diamine
Smiles: CCN1CCN(CC1)c1nc(NCC(C)C)nc(c1[N+](=O)[O-])N
STK558050
Synonyms: (2E)-3-(4-fluorophenyl)-N-{[2-(pyrazin-2-ylcarbonyl)hydrazinyl]carbonothioyl}prop-2-enamide
Smiles: S=C(NC(=O)/C=C/c1ccc(cc1)F)NNC(=O)c1cnccn1
STK558052
Synonyms: 4-[3-(2-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylaniline
Smiles: COc1ccccc1c1nnc2n1nc(s2)c1ccc(cc1)N(C)C
STK845572
Synonyms: 4-bromo-2-[5-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
Smiles: COc1cc(OC)ccc1C1NN=C(C1)c1cc(Br)ccc1O
STK845573
Synonyms: 3-(2-chlorophenyl)-6-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Clc1ccccc1c1nnc2n1nc(s2)COc1ccccc1
STK558057
Synonyms: {1-[2-(naphthalen-1-ylamino)-2-oxoethyl]cyclopentyl}aceticacid
Smiles: O=C(CC1(CCCC1)CC(=O)O)Nc1cccc2c1cccc2
STK845574
Synonyms: 3-methyl-3-phenyl-N-(1,3-thiazol-2-yl)pentanamide
Smiles: CCC(c1ccccc1)(CC(=O)Nc1nccs1)C
STK558061
Synonyms: methyl(8S,8aR,11aS,11bS)-10-(4-chlorophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylate
Smiles: COC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1ccc(cc1)Cl
STK558064
Synonyms: N~4~-(3,4-dimethylphenyl)-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1Nc1ccc(c(c1)C)C)NCCc1ccccc1
STK558072
Synonyms: 6-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccccc1OC
STK558073
Synonyms: N,N-dimethyl-2-(1-{2-[(4-methylphenyl)amino]-2-oxoethyl}cyclopentyl)acetamide
Smiles: O=C(CC1(CCCC1)CC(=O)N(C)C)Nc1ccc(cc1)C
STK845578
Synonyms: N-[(2Z)-3-cyano-1-(furan-2-ylmethyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-2-methylbenzamide
Smiles: N#Cc1cc2c(n(/c/1=N\C(=O)c1ccccc1C)Cc1ccco1)nc1n(c2=O)cccc1C
STK558077
Synonyms: N-[5-(piperidin-1-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]ethane-1,2-diamine
Smiles: NCCNc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCCCC1
STK558078
Synonyms: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-[(E)-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]acetohydrazide
Smiles: CCn1nc(c(c1C)/C=N/NC(=O)Cn1nc(cc1C)C)C
STK558084
Synonyms: N'-{(E)-[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylidene}-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
Smiles: O=C(CSc1nncn1C)N/N=C/c1ccc(o1)c1cccc(c1C)[N+](=O)[O-]
STK845581
Synonyms: 6-(phenoxymethyl)-3-(pyridin-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: c1ccc(cc1)OCc1sc2n(n1)c(nn2)c1ccncc1
STK558088
Synonyms: N-[1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]acetamide
Smiles: CC(=O)NC1(C(=O)N(C2=C1C(=O)CC(C2)(C)C)Cc1ccccc1)C(F)(F)F
STK845583
Synonyms: N~4~-(3,4-dimethylphenyl)-N~2~,N~2~-diethyl-5-nitropyrimidine-2,4,6-triamine
Smiles: CCN(c1nc(Nc2ccc(c(c2)C)C)c(c(n1)N)[N+](=O)[O-])CC
STK558092
Synonyms: N-[(2Z)-1-butyl-3-cyano-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-4-methylbenzamide
Smiles: CCCCn1/c(=N\C(=O)c2ccc(cc2)C)/c(C#N)cc2c1nc1c(C)cccn1c2=O
STK845584
Synonyms: (2E)-2-(1,3-benzothiazol-2-yl)-3-{[3-(trifluoromethyl)phenyl]amino}prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)C(F)(F)F)/c1nc2c(s1)cccc2
STK558098
Synonyms: 2-chloro-N-[(2E)-3-cyano-10-methyl-1-(2-methylpropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]benzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccccc1Cl)CC(C)C)nc1n(c2=O)cccc1C
STK558116
Synonyms: 2-{4-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-2-ethoxyphenoxy}acetamide
Smiles: CCOc1cc(/C=N/NC(=O)c2nnn(c2COc2ccccc2)c2nonc2N)ccc1OCC(=O)N
STK558134
Synonyms: N-benzyl-N'-[(1-phenylcyclopentyl)methyl]ethanediamide
Smiles: O=C(C(=O)NCc1ccccc1)NCC1(CCCC1)c1ccccc1
STK845588
Synonyms: 1-[cyclohexyl(6-ethoxynaphthalen-2-yl)methyl]urea
Smiles: CCOc1ccc2c(c1)ccc(c2)C(C1CCCCC1)NC(=O)N
STK845590
Synonyms: 5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile
Smiles: COc1ccc(cc1)N1CCN(CC1)c1oc(nc1C#N)COc1ccccc1
STK845591
Synonyms: 6-(4-ethoxyphenyl)-3-(2-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nn2c(s1)nnc2c1ccccc1OC
STK558143
Synonyms: 1-(2-methoxyphenyl)-4-(1-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
Smiles: COc1ccccc1N1CC(CC1=O)c1nc2c(n1C)cccc2
STK558145
Synonyms: 2-(4-benzylpiperidin-1-yl)-5-nitro-N-phenylpyrimidine-4,6-diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1Nc1ccccc1)N1CCC(CC1)Cc1ccccc1
STK845593
Synonyms: N-[(2E)-3-cyano-1-(furan-2-ylmethyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]pyridine-4-carboxamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccncc1)Cc1ccco1)nc1n(c2=O)cccc1C
STK558147
Synonyms: 8-(butylsulfanyl)-7-(4-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCSc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C
STK558161
Synonyms: methyl5-bromo-3-{[(4-methyl-1,2,5-oxadiazol-3-yl)carbonyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1nonc1C)cc(cc2)Br
STK845595
Synonyms: 2-[(4-bromophenoxy)methyl]-5-[(4-methoxybenzyl)amino]-1,3-oxazole-4-carbonitrile
Smiles: N#Cc1nc(oc1NCc1ccc(cc1)OC)COc1ccc(cc1)Br
STK845596
Synonyms: 2-[4-(4-chlorophenyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]-1-(pyrrolidin-1-yl)ethanone
Smiles: Clc1ccc(cc1)C1(CCOC(C1)(C)C)CC(=O)N1CCCC1
STK558165
Synonyms: 6-(4-methylphenyl)-3-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Cc1ccc(cc1)c1nn2c(s1)nnc2COc1ccccc1
STK558168
Synonyms: (4Z)-4-(4-bromophenyl)-2-(diphenylphosphoryl)-4-(hydroxyimino)butanoicacid
Smiles: O/N=C(\c1ccc(cc1)Br)/CC(P(=O)(c1ccccc1)c1ccccc1)C(=O)O
STK845600
Synonyms: ethyl6-bromo-5-{[(2-fluorophenyl)carbonyl]oxy}-2-methyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OC(=O)c1ccccc1F)c(c2)Br
STK558177
Synonyms: N~2~-[3-(morpholin-4-yl)propyl]-5-nitro-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCC1)NCCCN1CCOCC1
STK845601
Synonyms: 2-{[4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetamide
Smiles: NC(=O)COc1ccc2c(c1)oc(c(c2=O)c1ccccc1)C(F)(F)F
STK558184
Synonyms: 6-(diethylamino)-3-methyl-2H-1,4-benzoxazin-2-one
Smiles: CCN(c1ccc2c(c1)nc(c(=O)o2)C)CC
STK845602
Synonyms: 1,3-dimethyl-8-(4-methylpiperidin-1-yl)-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(=C)Cn1c(nc2c1c(=O)n(c(=O)n2C)C)N1CCC(CC1)C
STK558190
Synonyms: N-(6-methyl-1-propyl-1H-pyrazolo[3,4-b]quinolin-3-yl)acetamide
Smiles: CCCn1nc(c2c1nc1ccc(cc1c2)C)NC(=O)C
STK558192
Synonyms: N-[(2E)-1-butyl-3-cyano-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]benzamide
Smiles: CCCCn1/c(=N/C(=O)c2ccccc2)/c(C#N)cc2c1nc1c(C)cccn1c2=O
STK558193
Synonyms: 2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]acetohydrazide
Smiles: CCn1nc(c(c1C)/C=N/NC(=O)CSc1nnc(n1C)c1ccc(cc1)Br)C
STK558194
Synonyms: 2-(2-{[4-amino-6-(cyclohexylamino)-5-nitropyrimidin-2-yl]amino}ethoxy)ethanol
Smiles: OCCOCCNc1nc(N)c(c(n1)NC1CCCCC1)[N+](=O)[O-]
STK558195
Synonyms: 2-({3-[2-(dimethylamino)-2-oxoethoxy]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N,N-dimethylacetamide
Smiles: CN(C(=O)CSc1nc2ccccc2c(=O)n1OCC(=O)N(C)C)C
STK558196
Synonyms: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-[(4-fluorobenzyl)oxy]-2-methyl-4H-chromen-4-one
Smiles: CCc1cc2c(cc1OCc1ccc(cc1)F)oc(c(c2=O)c1ccc2c(c1)OCCCO2)C
STK558201
Synonyms: ethyl1-butyl-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Smiles: CCCCn1c(=N)c(cc2c1nc1c(C)cccn1c2=O)C(=O)OCC
STK558210
Synonyms: N-[(2E)-3-cyano-10-methyl-5-oxo-1-(propan-2-yl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-4-fluorobenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccc(cc1)F)C(C)C)nc1n(c2=O)cccc1C
STK558212
Synonyms: N~2~-methyl-5-nitro-6-(piperidin-1-yl)pyrimidine-2,4-diamine
Smiles: CNc1nc(N2CCCCC2)c(c(n1)N)[N+](=O)[O-]
STK558216
Synonyms: N-({1-[(4-methylphenyl)sulfonyl]piperidin-4-yl}carbonyl)-L-alanine
Smiles: C[C@@H](C(=O)O)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C
STK845603
Synonyms: 6-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: COc1cc(ccc1OC)c1nn2c(s1)nnc2c1ccccc1OC
STK845604
Synonyms: N-benzyl-2-(3-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine
Smiles: CC1CCCN(C1)c1nc(NCc2ccccc2)c(c(n1)N)[N+](=O)[O-]
STK558230
Synonyms: 5-(benzyloxy)-2-[4-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol
Smiles: COc1ccccc1c1c(C)[nH]nc1c1ccc(cc1O)OCc1ccccc1
STK558232
Synonyms: 1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone
Smiles: COc1ccc2c(c1)c(C(=O)CN1CCN(CC1)C)c([nH]2)C
STK558233
Synonyms: 2-[(4-chlorophenoxy)methyl]-5-[(1-phenylethyl)amino]-1,3-oxazole-4-carbonitrile
Smiles: N#Cc1nc(oc1NC(c1ccccc1)C)COc1ccc(cc1)Cl
STK558235
Synonyms: 2-imino-N-(4-methoxybenzyl)-1-[2-(morpholin-4-yl)ethyl]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Smiles: COc1ccc(cc1)CNC(=O)c1cc2c(n(c1=N)CCN1CCOCC1)nc1n(c2=O)cccc1
STK558240
Synonyms: [4-(benzyloxy)phenyl](phenylamino)acetonitrile
Smiles: N#CC(c1ccc(cc1)OCc1ccccc1)Nc1ccccc1
STK558242
Synonyms: (6Z)-6-[4-(benzyloxy)-3-methoxybenzylidene]-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1OCc1ccccc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1
STK558244
Synonyms: 2-amino-3-(1,3-benzothiazol-2-yl)-4-[4-(propan-2-yl)phenyl]-4H,5H-pyrano[3,2-c]chromen-5-one
Smiles: NC1=C(c2nc3c(s2)cccc3)C(c2c(O1)c1ccccc1oc2=O)c1ccc(cc1)C(C)C