CAS RN: 6196-81-2
CAS Name: N-cyclohexyl-3-[2-[[2-(4-ethoxyanilino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propanamide
OPENEYE Name: N-cyclohexyl-3-[2-[2-(4-ethoxyanilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propanamide
IUPAC Name: N-cyclohexyl-3-[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propanamide
SYSTEMATIC NAME: N-cyclohexyl-3-[2-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanamide
MOLECULAR FORMULA: C27H32N4O4S
MOLECULAR WEIGHT: 508.63238
SMILES: CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)NC4CCCCC4
Structure:
CAS RN: 4845-20-9
CAS Name: N-[2-[[2-(dimethylamino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-3-phenylpropanamide
OPENEYE Name: N-[2-[2-(dimethylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-propanamide
IUPAC Name: N-[2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylpropanamide
SYSTEMATIC NAME: N-[2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-propanamide
MOLECULAR FORMULA: C20H21N3O2S2
MOLECULAR WEIGHT: 399.52964
SMILES: CN(C)C(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC3=CC=CC=C3
Structure:
CAS RN: 6183-33-1
CAS Name: N-[[4-(3,4-dichlorophenyl)-5-[[2-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]-2-thiophenecarboxamide
OPENEYE Name: N-[[4-(3,4-dichlorophenyl)-5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide
IUPAC Name: N-[[4-(3,4-dichlorophenyl)-5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide
SYSTEMATIC NAME: N-[[4-(3,4-dichlorophenyl)-5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide
MOLECULAR FORMULA: C20H17Cl2N7O2S4
MOLECULAR WEIGHT: 586.56068
SMILES: CCSC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)CNC(=O)C4=CC=CS4
Structure:
CAS RN: 4791-09-7
CAS Name: 2-[[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(2,4,6-trimethylphenyl)acetamide
OPENEYE Name: 2-[[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
IUPAC Name: 2-[[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
SYSTEMATIC NAME: 2-[[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)ethanamide
MOLECULAR FORMULA: C27H28N4O3S
MOLECULAR WEIGHT: 488.60122
SMILES: CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC(=CC=C4)OC)C
Structure:
CAS RN: 4789-87-1
CAS Name: 5-(4-bromophenyl)-3-(3-pyridinyl)-3a,6a-dihydropyrrolo[3,4-d]isoxazole-4,6-dione
OPENEYE Name: 5-(4-bromophenyl)-3-(3-pyridyl)-3a,6a-dihydropyrrolo[3,4-d]isoxazole-4,6-dione
IUPAC Name: 5-(4-bromophenyl)-3-pyridin-3-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
SYSTEMATIC NAME: 5-(4-bromophenyl)-3-pyridin-3-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
MOLECULAR FORMULA: C16H10BrN3O3
MOLECULAR WEIGHT: 372.1729
SMILES: C1=CC(=CN=C1)C2=NOC3C2C(=O)N(C3=O)C4=CC=C(C=C4)Br
Structure:
CAS RN: 6453-31-2
CAS Name: 4-[[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-thiophen-2-yl-5-oxazolone
OPENEYE Name: 4-[[3-bromo-5-ethoxy-4-(m-tolylmethoxy)phenyl]methylene]-2-(2-thienyl)oxazol-5-one
IUPAC Name: 4-[[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
SYSTEMATIC NAME: 4-[[3-bromanyl-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
MOLECULAR FORMULA: C24H20BrNO4S
MOLECULAR WEIGHT: 498.3889
SMILES: CCOC1=C(C(=CC(=C1)C=C2C(=O)OC(=N2)C3=CC=CS3)Br)OCC4=CC=CC(=C4)C
Structure:
CAS RN: 4610-19-9
CAS Name: 2-amino-4-[2-[(2-chlorophenyl)methoxy]phenyl]-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile
OPENEYE Name: 2-amino-4-[2-[(2-chlorophenyl)methoxy]phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
IUPAC Name: 2-amino-4-[2-[(2-chlorophenyl)methoxy]phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-4-[2-[(2-chlorophenyl)methoxy]phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile
MOLECULAR FORMULA: C23H19ClN2O3
MOLECULAR WEIGHT: 406.86156
SMILES: C1CC2=C(C(C(=C(O2)N)C#N)C3=CC=CC=C3OCC4=CC=CC=C4Cl)C(=O)C1
Structure:
CAS RN: 5970-75-2
CAS Name: N-cyclohexyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
OPENEYE Name: N-cyclohexyl-N-[2-[4-(o-tolyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxo-ethyl]-4-(trifluoromethyl)benzamide
IUPAC Name: N-cyclohexyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
SYSTEMATIC NAME: N-cyclohexyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxidanylidene-ethyl]-4-(trifluoromethyl)benzamide
MOLECULAR FORMULA: C30H31F3N2O2S
MOLECULAR WEIGHT: 540.63955
SMILES: CC1=CC=CC=C1C2C3=C(CCN2C(=O)CN(C4CCCCC4)C(=O)C5=CC=C(C=C5)C(F)(F)F)SC=C3
Structure:
CAS RN: 5966-46-1
CAS Name: 1-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-pentanone
OPENEYE Name: 1-[4-(p-tolyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pentan-1-one
IUPAC Name: 1-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pentan-1-one
SYSTEMATIC NAME: 1-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pentan-1-one
MOLECULAR FORMULA: C19H23NOS
MOLECULAR WEIGHT: 313.45702
SMILES: CCCCC(=O)N1CCC2=C(C1C3=CC=C(C=C3)C)C=CS2
Structure:
CAS RN: 6062-75-5
CAS Name: 6a,9a-dichloro-2-ethyl-8-(4-fluorophenyl)-6-(4-hydroxy-3-methoxyphenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
OPENEYE Name: 6a,9a-dichloro-2-ethyl-8-(4-fluorophenyl)-6-(4-hydroxy-3-methoxy-phenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC Name: 6a,9a-dichloro-2-ethyl-8-(4-fluorophenyl)-6-(4-hydroxy-3-methoxyphenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 6a,9a-bis(chloranyl)-2-ethyl-8-(4-fluorophenyl)-6-(3-methoxy-4-oxidanyl-phenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C29H25Cl2FN2O6
MOLECULAR WEIGHT: 587.423003
SMILES: CCN1C(=O)C2CC=C3C(C2C1=O)CC4(C(=O)N(C(=O)C4(C3C5=CC(=C(C=C5)O)OC)Cl)C6=CC=C(C=C6)F)Cl
Structure:
CAS RN: 6058-46-4
CAS Name: 6a,9a-dichloro-6-(3-fluoro-2-hydroxyphenyl)-8-methyl-2-(thiophen-2-ylmethyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
OPENEYE Name: 6a,9a-dichloro-6-(3-fluoro-2-hydroxy-phenyl)-8-methyl-2-(2-thienylmethyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC Name: 6a,9a-dichloro-6-(3-fluoro-2-hydroxyphenyl)-8-methyl-2-(thiophen-2-ylmethyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 6a,9a-bis(chloranyl)-6-(3-fluoranyl-2-oxidanyl-phenyl)-8-methyl-2-(thiophen-2-ylmethyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C26H21Cl2FN2O5S
MOLECULAR WEIGHT: 563.424743
SMILES: CN1C(=O)C2(CC3C4C(CC=C3C(C2(C1=O)Cl)C5=C(C(=CC=C5)F)O)C(=O)N(C4=O)CC6=CC=CS6)Cl
Structure:
CAS RN: 5416-91-1
CAS Name: N-(3-methyl-1,1-dioxo-3-thiolanyl)-1-phenylmethanimine
OPENEYE Name: N-(3-methyl-1,1-dioxo-thiolan-3-yl)-1-phenyl-methanimine
IUPAC Name: N-(3-methyl-1,1-dioxothiolan-3-yl)-1-phenylmethanimine
SYSTEMATIC NAME: N-[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]-1-phenyl-methanimine
MOLECULAR FORMULA: C12H15NO2S
MOLECULAR WEIGHT: 237.318
SMILES: CC1(CCS(=O)(=O)C1)N=CC2=CC=CC=C2
Structure:
CAS RN: 5123-80-8
CAS Name: 1-[(2-bromophenyl)-(2-ethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: 1-[(2-bromophenyl)-(2-ethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
IUPAC Name: 1-[(2-bromophenyl)-(2-ethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: 1-[(2-bromophenyl)-(2-ethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C20H22BrNO3
MOLECULAR WEIGHT: 404.29758
SMILES: CCOC1=CC=CC=C1C(C2=CC=CC=C2Br)N3CCCC3C(=O)O
Structure:
CAS RN: 5119-51-7
CAS Name: 1-[(3-methyl-2-thiophenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid
OPENEYE Name: 1-[(3-methyl-2-thienyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
IUPAC Name: 1-[(3-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
SYSTEMATIC NAME: 1-[(3-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
MOLECULAR FORMULA: C19H20F3NO2S
MOLECULAR WEIGHT: 383.42781
SMILES: CC1=C(SC=C1)C(C2=CC(=CC=C2)C(F)(F)F)N3CCCC(C3)C(=O)O
Structure:
CAS RN: 5573-61-5
CAS Name: 2-(9-formyloxy-6,10-dihydroxy-1,2',4a-trimethyl-5,8-dioxo-1-spiro[3,4,6,9,10,10a-hexahydro-2H-phenanthrene-7,1'-cyclopropane]yl)acetic acid
OPENEYE Name: 2-(9-formyloxy-6,10-dihydroxy-1,2',4a-trimethyl-5,8-dioxo-spiro[3,4,6,9,10,10a-hexahydro-2H-phenanthrene-7,1'-cyclopropane]-1-yl)acetic acid
IUPAC Name: 2-(9-formyloxy-6,10-dihydroxy-1,2',4a-trimethyl-5,8-dioxospiro[3,4,6,9,10,10a-hexahydro-2H-phenanthrene-7,1'-cyclopropane]-1-yl)acetic acid
SYSTEMATIC NAME: 2-[9-methanoyloxy-1,2',4a-trimethyl-6,10-bis(oxidanyl)-5,8-bis(oxidanylidene)spiro[3,4,6,9,10,10a-hexahydro-2H-phenanthrene-7,1'-cyclopropane]-1-yl]ethanoic acid
MOLECULAR FORMULA: C22H28O8
MOLECULAR WEIGHT: 420.45292
SMILES: CC1CC12C(C(=O)C3=C(C2=O)C(C(C4C3(CCCC4(C)CC(=O)O)C)O)OC=O)O
Structure:
CAS RN: 5569-32-4
CAS Name: 3-(1-phenylethylidene)-5,7-dihydro-1H-pyrrolo[3,2-f]indole-2,6-dione
OPENEYE Name: 3-(1-phenylethylidene)-5,7-dihydro-1H-pyrrolo[3,2-f]indole-2,6-dione
IUPAC Name: 3-(1-phenylethylidene)-5,7-dihydro-1H-pyrrolo[3,2-f]indole-2,6-dione
SYSTEMATIC NAME: 3-(1-phenylethylidene)-5,7-dihydro-1H-pyrrolo[3,2-f]indole-2,6-dione
MOLECULAR FORMULA: C18H14N2O2
MOLECULAR WEIGHT: 290.31596
SMILES: CC(=C1C2=CC3=C(C=C2NC1=O)NC(=O)C3)C4=CC=CC=C4
Structure:
CAS RN: 5135-20-6
CAS Name: 1-[2-naphthalenyl-(4-phenylmethoxyphenyl)methyl]-2-piperidinecarboxylic acid
OPENEYE Name: 1-[(4-benzyloxyphenyl)-(2-naphthyl)methyl]piperidine-2-carboxylic acid
IUPAC Name: 1-[naphthalen-2-yl-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid
SYSTEMATIC NAME: 1-[naphthalen-2-yl-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid
MOLECULAR FORMULA: C30H29NO3
MOLECULAR WEIGHT: 451.55616
SMILES: C1CCN(C(C1)C(=O)O)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC5=CC=CC=C5C=C4
Structure:
CAS RN: 5957-64-2
CAS Name: 1-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-cyclohexyl-1-(2-methylpropyl)urea
OPENEYE Name: 1-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxo-ethyl]-3-cyclohexyl-1-isobutyl-urea
IUPAC Name: 1-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-cyclohexyl-1-(2-methylpropyl)urea
SYSTEMATIC NAME: 1-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxidanylidene-ethyl]-3-cyclohexyl-1-(2-methylpropyl)urea
MOLECULAR FORMULA: C26H34ClN3O2S
MOLECULAR WEIGHT: 488.08506
SMILES: CC(C)CN(CC(=O)N1CCC2=C(C1C3=CC=C(C=C3)Cl)C=CS2)C(=O)NC4CCCCC4
Structure:
CAS RN: 5952-73-8
CAS Name: 2,2-dimethyl-N-[2-[2-methylpropyl-[(1-methyl-2-pyrrolyl)methyl]amino]-2-oxoethyl]-N-prop-2-enylpropanamide
OPENEYE Name: N-allyl-N-[2-[isobutyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxo-ethyl]-2,2-dimethyl-propanamide
IUPAC Name: 2,2-dimethyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enylpropanamide
SYSTEMATIC NAME: 2,2-dimethyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-N-prop-2-enyl-propanamide
MOLECULAR FORMULA: C20H33N3O2
MOLECULAR WEIGHT: 347.49492
SMILES: CC(C)CN(CC1=CC=CN1C)C(=O)CN(CC=C)C(=O)C(C)(C)C
Structure:
CAS RN: 5032-82-6
CAS Name: 3-(4-aminobutyl)-7-chloro-2-(3-methylphenyl)-1H-indole-4-carboxylic acid
OPENEYE Name: 3-(4-aminobutyl)-7-chloro-2-(m-tolyl)-1H-indole-4-carboxylic acid
IUPAC Name: 3-(4-aminobutyl)-7-chloro-2-(3-methylphenyl)-1H-indole-4-carboxylic acid
SYSTEMATIC NAME: 3-(4-azanylbutyl)-7-chloranyl-2-(3-methylphenyl)-1H-indole-4-carboxylic acid
MOLECULAR FORMULA: C20H21ClN2O2
MOLECULAR WEIGHT: 356.84594
SMILES: CC1=CC=CC(=C1)C2=C(C3=C(C=CC(=C3N2)Cl)C(=O)O)CCCCN
Structure:
CAS RN: 53221-75-3
CAS Name: 2-nitro-4-[(6-nitro-4-quinolinyl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide
OPENEYE Name: 2-nitro-4-[(6-nitro-4-quinolyl)amino]-N-[4-(4-pyridylamino)phenyl]benzamide
IUPAC Name: 2-nitro-4-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide
SYSTEMATIC NAME: 2-nitro-4-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide
MOLECULAR FORMULA: C27H19N7O5
MOLECULAR WEIGHT: 521.48366
SMILES: C1=CC(=CC=C1NC2=CC=NC=C2)NC(=O)C3=C(C=C(C=C3)NC4=C5C=C(C=CC5=NC=C4)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 4972-95-6
CAS Name: 5-bromo-2-(2,5-dimethylphenyl)-1H-indole-3-carboxaldehyde
OPENEYE Name: 5-bromo-2-(2,5-dimethylphenyl)-1H-indole-3-carbaldehyde
IUPAC Name: 5-bromo-2-(2,5-dimethylphenyl)-1H-indole-3-carbaldehyde
SYSTEMATIC NAME: 5-bromanyl-2-(2,5-dimethylphenyl)-1H-indole-3-carbaldehyde
MOLECULAR FORMULA: C17H14BrNO
MOLECULAR WEIGHT: 328.20316
SMILES: CC1=CC(=C(C=C1)C)C2=C(C3=C(N2)C=CC(=C3)Br)C=O
Structure:
CAS RN: 5366-51-8
CAS Name: N-(2-fluorophenyl)-2-[4-methyl-5-[[2-(4-methyl-3-nitroanilino)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]acetamide
OPENEYE Name: N-(2-fluorophenyl)-2-[4-methyl-5-[2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide
IUPAC Name: N-(2-fluorophenyl)-2-[4-methyl-5-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide
SYSTEMATIC NAME: N-(2-fluorophenyl)-2-[4-methyl-5-[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethanamide
MOLECULAR FORMULA: C20H19FN6O4S
MOLECULAR WEIGHT: 458.466063
SMILES: CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)CC(=O)NC3=CC=CC=C3F)[N+](=O)[O-]
Structure:
CAS RN: 15870-63-0
CAS Name: 8-[(4-nitrophenyl)methylthio]-3,7-dihydropurin-6-one
OPENEYE Name: 8-[(4-nitrophenyl)methylsulfanyl]-3,7-dihydropurin-6-one
IUPAC Name: 8-[(4-nitrophenyl)methylsulfanyl]-3,7-dihydropurin-6-one
SYSTEMATIC NAME: 8-[(4-nitrophenyl)methylsulfanyl]-3,7-dihydropurin-6-one
MOLECULAR FORMULA: C12H9N5O3S
MOLECULAR WEIGHT: 303.29656
SMILES: C1=CC(=CC=C1CSC2=NC3=C(N2)C(=O)N=CN3)[N+](=O)[O-]
Structure:
CAS RN: 5522-62-3
CAS Name: 3-[5-(3-chloro-4-methylphenyl)-2-furanyl]-N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-2-propenamide
OPENEYE Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-[5-(3-chloro-4-methyl-phenyl)-2-furyl]prop-2-enamide
IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]prop-2-enamide
SYSTEMATIC NAME: 3-[5-(3-chloranyl-4-methyl-phenyl)furan-2-yl]-N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]prop-2-enamide
MOLECULAR FORMULA: C24H21ClN4O2S
MOLECULAR WEIGHT: 464.96714
SMILES: CC1=C(C=C(C=C1)C2=CC=C(O2)C=CC(=O)NN3C(=NN=C3SCC4=CC=CC=C4)C)Cl
Structure:
CAS RN: 5522-01-0
CAS Name: N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-nitrobenzamide
OPENEYE Name: N-[[4-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]methyleneamino]-3-nitro-benzamide
IUPAC Name: N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-nitrobenzamide
SYSTEMATIC NAME: N-[[4-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]methylideneamino]-3-nitro-benzamide
MOLECULAR FORMULA: C22H18ClN3O5
MOLECULAR WEIGHT: 439.84842
SMILES: COC1=C(C=CC(=C1)C=NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OCC3=CC=CC=C3Cl
Structure:
CAS RN: 4723-63-1
CAS Name: 5-[(2,4-dichlorophenyl)methylidene]-4-thieno[2,3-b]thiopyranone
OPENEYE Name: 5-[(2,4-dichlorophenyl)methylene]thieno[2,3-b]thiopyran-4-one
IUPAC Name: 5-[(2,4-dichlorophenyl)methylidene]thieno[2,3-b]thiopyran-4-one
SYSTEMATIC NAME: 5-[(2,4-dichlorophenyl)methylidene]thieno[2,3-b]thiopyran-4-one
MOLECULAR FORMULA: C14H8Cl2OS2
MOLECULAR WEIGHT: 327.24872
SMILES: C1C(=CC2=C(C=C(C=C2)Cl)Cl)C(=O)C3=C(S1)SC=C3
Structure:
CAS RN: 4721-17-9
CAS Name: 2-[[[4-(4-methylphenyl)-2-thiazolyl]amino]methylidene]propanedioic acid diethyl ester
OPENEYE Name: diethyl 2-[[[4-(p-tolyl)thiazol-2-yl]amino]methylene]propanedioate
IUPAC Name: diethyl 2-[[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methylidene]propanedioate
SYSTEMATIC NAME: diethyl 2-[[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methylidene]propanedioate
MOLECULAR FORMULA: C18H20N2O4S
MOLECULAR WEIGHT: 360.4274
SMILES: CCOC(=O)C(=CNC1=NC(=CS1)C2=CC=C(C=C2)C)C(=O)OCC
Structure:
CAS RN: 5743-88-4
CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] ester
OPENEYE Name: [2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl] 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate
IUPAC Name: [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
SYSTEMATIC NAME: [2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate
MOLECULAR FORMULA: C19H20N6O8
MOLECULAR WEIGHT: 460.3975
SMILES: CC1=CC(=C(C=C1NC(=O)COC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)OC)[N+](=O)[O-]
Structure:
CAS RN: 5817-14-1
CAS Name: 4-(2-fluorophenyl)-1-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
OPENEYE Name: 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(2-fluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
IUPAC Name: 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(2-fluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SYSTEMATIC NAME: 4-(2-fluorophenyl)-1-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
MOLECULAR FORMULA: C24H20FN3O2S2
MOLECULAR WEIGHT: 465.562903
SMILES: C1CC2=C(C(CC(=O)N2C3=NN=C(S3)SCC4=CC=CC=C4)C5=CC=CC=C5F)C(=O)C1
Structure:
CAS RN: 7226-44-0
CAS Name: 2-[[[1-[[1-(2-tert-butyldioxypropan-2-ylamino)-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-oxomethyl]benzoic acid methyl ester
OPENEYE Name: methyl 2-[[2-[[2-[(1-tert-butylperoxy-1-methyl-ethyl)amino]-1,1-dimethyl-2-oxo-ethyl]amino]-1,1-dimethyl-2-oxo-ethyl]carbamoyl]benzoate
IUPAC Name: methyl 2-[[1-[[1-(2-tert-butylperoxypropan-2-ylamino)-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]benzoate
SYSTEMATIC NAME: methyl 2-[[1-[[1-(2-tert-butylperoxypropan-2-ylamino)-2-methyl-1-oxidanylidene-propan-2-yl]amino]-2-methyl-1-oxidanylidene-propan-2-yl]carbamoyl]benzoate
MOLECULAR FORMULA: C24H37N3O7
MOLECULAR WEIGHT: 479.56648
SMILES: CC(C)(C)OOC(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C1=CC=CC=C1C(=O)OC
Structure:
CAS RN: 7226-43-9
CAS Name: 2-[2-(4,4-dimethyl-5-oxo-2-oxazolyl)propan-2-yl]isoindole-1,3-dione
OPENEYE Name: 2-[1-(4,4-dimethyl-5-oxo-oxazol-2-yl)-1-methyl-ethyl]isoindoline-1,3-dione
IUPAC Name: 2-[2-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)propan-2-yl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[2-(4,4-dimethyl-5-oxidanylidene-1,3-oxazol-2-yl)propan-2-yl]isoindole-1,3-dione
MOLECULAR FORMULA: C16H16N2O4
MOLECULAR WEIGHT: 300.30924
SMILES: CC1(C(=O)OC(=N1)C(C)(C)N2C(=O)C3=CC=CC=C3C2=O)C
Structure:
CAS RN: 5247-14-3
CAS Name: 4-[2,8-bis(1-piperidinyl)-7H-purin-6-yl]morpholine
OPENEYE Name: 4-[2,8-bis(1-piperidyl)-7H-purin-6-yl]morpholine
IUPAC Name: 4-[2,8-di(piperidin-1-yl)-7H-purin-6-yl]morpholine
SYSTEMATIC NAME: 4-[2,8-di(piperidin-1-yl)-7H-purin-6-yl]morpholine
MOLECULAR FORMULA: C19H29N7O
MOLECULAR WEIGHT: 371.47986
SMILES: C1CCN(CC1)C2=NC3=C(N2)C(=NC(=N3)N4CCCCC4)N5CCOCC5
Structure:
CAS RN: 7512-55-2
CAS Name: 4-[2,8-bis(1-piperidinyl)-7H-purin-6-yl]morpholine
OPENEYE Name: 4-[2,8-bis(1-piperidyl)-7H-purin-6-yl]morpholine
IUPAC Name: 4-[2,8-di(piperidin-1-yl)-7H-purin-6-yl]morpholine
SYSTEMATIC NAME: 4-[2,8-di(piperidin-1-yl)-7H-purin-6-yl]morpholine
MOLECULAR FORMULA: C19H29N7O
MOLECULAR WEIGHT: 371.47986
SMILES: C1CCN(CC1)C2=NC3=C(N2)C(=NC(=N3)N4CCCCC4)N5CCOCC5
Structure:
CAS RN: 5676-93-7
CAS Name: N-(2-cyanophenyl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)thio]acetamide
OPENEYE Name: N-(2-cyanophenyl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
IUPAC Name: N-(2-cyanophenyl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SYSTEMATIC NAME: N-(2-cyanophenyl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamide
MOLECULAR FORMULA: C17H12N4OS3
MOLECULAR WEIGHT: 384.49838
SMILES: C1=CC=C(C=C1)N2C(=S)SC(=N2)SCC(=O)NC3=CC=CC=C3C#N
Structure:
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