Monday, February 27, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-[(3-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline
CAS Name: 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-[(3-fluorophenyl)methylthio]-[1,2,4]triazolo[1,5-c]quinazoline
IUPAC NAME: 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-[(3-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline
SYSTEMATIC NAME: 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-[(3-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline
MOLECULAR FORMULA: C23H21FN6S
MOLECULAR WEIGHT: 432.516443
SMILES: CC1=C(C(=NN1)C)CCC2=NN3C(=N2)C4=CC=CC=C4N=C3SCC5=CC(=CC=C5)F
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Product OPENEYE NAME: 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CAS Name: 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide
IUPAC NAME: 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SYSTEMATIC NAME: 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]ethanamide
MOLECULAR FORMULA: C25H22F3N7OS
MOLECULAR WEIGHT: 525.54869
SMILES: CC1=C(C(=NN1)C)CCC2=NN3C(=N2)C4=CC=CC=C4N=C3SCC(=O)NC5=CC=CC(=C5)C(F)(F)F
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Product OPENEYE NAME: 1-(4-bromophenyl)-2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]ethanone
CAS Name: 1-(4-bromophenyl)-2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]ethanone
IUPAC NAME: 1-(4-bromophenyl)-2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]ethanone
SYSTEMATIC NAME: 1-(4-bromophenyl)-2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]ethanone
MOLECULAR FORMULA: C24H21BrN6OS
MOLECULAR WEIGHT: 521.43214
SMILES: CC1=C(C(=NN1)C)CCC2=NN3C(=N2)C4=CC=CC=C4N=C3SCC(=O)C5=CC=C(C=C5)Br
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Product OPENEYE NAME: ethyl 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetate
CAS Name: 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetate
SYSTEMATIC NAME: ethyl 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]ethanoate
MOLECULAR FORMULA: C20H22N6O2S
MOLECULAR WEIGHT: 410.49268
SMILES: CCOC(=O)CSC1=NC2=CC=CC=C2C3=NC(=NN31)CCC4=C(NN=C4C)C
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Product OPENEYE NAME: 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-(p-tolylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]quinazoline
CAS Name: 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-[(4-methylphenyl)methylthio]-[1,2,4]triazolo[1,5-c]quinazoline
IUPAC NAME: 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-[(4-methylphenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline
SYSTEMATIC NAME: 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-[(4-methylphenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline
MOLECULAR FORMULA: C24H24N6S
MOLECULAR WEIGHT: 428.55256
SMILES: CC1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C4=NC(=NN42)CCC5=C(NN=C5C)C
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Product OPENEYE NAME: methyl 6-amino-4-[5-[(2-bromophenoxy)methyl]-2,4-dimethyl-phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate
CAS Name: 6-amino-4-[5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid methyl ester
IUPAC NAME: methyl 6-amino-4-[5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate
SYSTEMATIC NAME: methyl 6-azanyl-4-[5-[(2-bromanylphenoxy)methyl]-2,4-dimethyl-phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate
MOLECULAR FORMULA: C24H23BrN2O4
MOLECULAR WEIGHT: 483.35442
SMILES: CC1=CC(=C(C=C1C2C(=C(OC(=C2C(=O)OC)C)N)C#N)COC3=CC=CC=C3Br)C
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Product OPENEYE NAME: [2-(4-nitrophenyl)-2-oxo-ethyl] 6-bromo-8-methyl-2-phenyl-quinoline-4-carboxylate
CAS Name: 6-bromo-8-methyl-2-phenyl-4-quinolinecarboxylic acid [2-(4-nitrophenyl)-2-oxoethyl] ester
IUPAC NAME: [2-(4-nitrophenyl)-2-oxoethyl] 6-bromo-8-methyl-2-phenylquinoline-4-carboxylate
SYSTEMATIC NAME: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 6-bromanyl-8-methyl-2-phenyl-quinoline-4-carboxylate
MOLECULAR FORMULA: C25H17BrN2O5
MOLECULAR WEIGHT: 505.31688
SMILES: CC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=CC=C3)C(=O)OCC(=O)C4=CC=C(C=C4)[N+](=O)[O-]
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Product OPENEYE NAME: propyl 2-[(6-chloro-2-oxo-chromene-3-carbonyl)amino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
CAS Name: 2-[[(6-chloro-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]-4-(3,4-dimethoxyphenyl)-3-thiophenecarboxylic acid propyl ester
IUPAC NAME: propyl 2-[(6-chloro-2-oxochromene-3-carbonyl)amino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
SYSTEMATIC NAME: propyl 2-[(6-chloranyl-2-oxidanylidene-chromen-3-yl)carbonylamino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
MOLECULAR FORMULA: C26H22ClNO7S
MOLECULAR WEIGHT: 527.97338
SMILES: CCCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NC(=O)C3=CC4=C(C=CC(=C4)Cl)OC3=O
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Product OPENEYE NAME: 5-oxo-5-[2-(5-propylthiophene-3-carbonyl)hydrazino]pentanoic acid
CAS Name: 5-oxo-5-[[oxo-(5-propyl-3-thiophenyl)methyl]hydrazo]pentanoic acid
IUPAC NAME: 5-oxo-5-[2-(5-propylthiophene-3-carbonyl)hydrazinyl]pentanoic acid
SYSTEMATIC NAME: 5-oxidanylidene-5-[2-(5-propylthiophen-3-yl)carbonylhydrazinyl]pentanoic acid
MOLECULAR FORMULA: C13H18N2O4S
MOLECULAR WEIGHT: 298.35802
SMILES: CCCC1=CC(=CS1)C(=O)NNC(=O)CCCC(=O)O
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Product OPENEYE NAME: 3-[4-oxo-2-[1-(p-tolylcarbamoyl)propylsulfanyl]thieno[3,2-d]pyrimidin-3-yl]propanoate
CAS Name: 3-[2-[[1-(4-methylanilino)-1-oxobutan-2-yl]thio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]propanoate
IUPAC NAME: 3-[2-[1-(4-methylanilino)-1-oxobutan-2-yl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]propanoate
SYSTEMATIC NAME: 3-[2-[1-[(4-methylphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]propanoate
MOLECULAR FORMULA: C20H20N3O4S2-
MOLECULAR WEIGHT: 430.5205
SMILES: CCC(C(=O)NC1=CC=C(C=C1)C)SC2=NC3=C(C(=O)N2CCC(=O)[O-])SC=C3
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Product OPENEYE NAME: 3-[4-oxo-2-[1-(p-tolylcarbamoyl)propylsulfanyl]thieno[3,2-d]pyrimidin-3-yl]propanoic acid
CAS Name: 3-[2-[[1-(4-methylanilino)-1-oxobutan-2-yl]thio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]propanoic acid
IUPAC NAME: 3-[2-[1-(4-methylanilino)-1-oxobutan-2-yl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]propanoic acid
SYSTEMATIC NAME: 3-[2-[1-[(4-methylphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]propanoic acid
MOLECULAR FORMULA: C20H21N3O4S2
MOLECULAR WEIGHT: 431.52844
SMILES: CCC(C(=O)NC1=CC=C(C=C1)C)SC2=NC3=C(C(=O)N2CCC(=O)O)SC=C3
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Product OPENEYE NAME: 3-[2-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanyl-4-oxo-thieno[3,2-d]pyrimidin-3-yl]propanoate
CAS Name: 3-[2-[[2-(4-fluoroanilino)-2-oxoethyl]thio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]propanoate
IUPAC NAME: 3-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]propanoate
SYSTEMATIC NAME: 3-[2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]propanoate
MOLECULAR FORMULA: C17H13FN3O4S2-
MOLECULAR WEIGHT: 406.431223
SMILES: C1=CC(=CC=C1NC(=O)CSC2=NC3=C(C(=O)N2CCC(=O)[O-])SC=C3)F
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Product OPENEYE NAME: 3-[2-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanyl-4-oxo-thieno[3,2-d]pyrimidin-3-yl]propanoic acid
CAS Name: 3-[2-[[2-(4-fluoroanilino)-2-oxoethyl]thio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]propanoic acid
IUPAC NAME: 3-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]propanoic acid
SYSTEMATIC NAME: 3-[2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]propanoic acid
MOLECULAR FORMULA: C17H14FN3O4S2
MOLECULAR WEIGHT: 407.439163
SMILES: C1=CC(=CC=C1NC(=O)CSC2=NC3=C(C(=O)N2CCC(=O)O)SC=C3)F
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Product OPENEYE NAME: 3-(4-oxo-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-[2-(p-tolyl)ethyl]propanamide
CAS Name: N-[2-(4-methylphenyl)ethyl]-3-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide
IUPAC NAME: N-[2-(4-methylphenyl)ethyl]-3-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide
SYSTEMATIC NAME: N-[2-(4-methylphenyl)ethyl]-3-(4-oxidanylidene-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide
MOLECULAR FORMULA: C18H19N3O2S2
MOLECULAR WEIGHT: 373.49236
SMILES: CC1=CC=C(C=C1)CCNC(=O)CCN2C(=O)C3=C(C=CS3)NC2=S
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Product OPENEYE NAME: 4-[[2-[(2-cyanophenyl)methylsulfanyl]-4-oxo-thieno[3,2-d]pyrimidin-3-yl]methyl]benzoate
CAS Name: 4-[[2-[(2-cyanophenyl)methylthio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]methyl]benzoate
IUPAC NAME: 4-[[2-[(2-cyanophenyl)methylsulfanyl]-4-oxothieno[3,2-d]pyrimidin-3-yl]methyl]benzoate
SYSTEMATIC NAME: 4-[[2-[(2-cyanophenyl)methylsulfanyl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]methyl]benzoate
MOLECULAR FORMULA: C22H14N3O3S2-
MOLECULAR WEIGHT: 432.49486
SMILES: C1=CC=C(C(=C1)CSC2=NC3=C(C(=O)N2CC4=CC=C(C=C4)C(=O)[O-])SC=C3)C#N
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Product OPENEYE NAME: 4-[[4-oxo-2-[1-(3-pyridylmethylcarbamoyl)propylsulfanyl]thieno[3,2-d]pyrimidin-3-yl]methyl]benzoate
CAS Name: 4-[[4-oxo-2-[[1-oxo-1-(3-pyridinylmethylamino)butan-2-yl]thio]-3-thieno[3,2-d]pyrimidinyl]methyl]benzoate
IUPAC NAME: 4-[[4-oxo-2-[1-oxo-1-(pyridin-3-ylmethylamino)butan-2-yl]sulfanylthieno[3,2-d]pyrimidin-3-yl]methyl]benzoate
SYSTEMATIC NAME: 4-[[4-oxidanylidene-2-[1-oxidanylidene-1-(pyridin-3-ylmethylamino)butan-2-yl]sulfanyl-thieno[3,2-d]pyrimidin-3-yl]methyl]benzoate
MOLECULAR FORMULA: C24H21N4O4S2-
MOLECULAR WEIGHT: 493.57794
SMILES: CCC(C(=O)NCC1=CN=CC=C1)SC2=NC3=C(C(=O)N2CC4=CC=C(C=C4)C(=O)[O-])SC=C3
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Product OPENEYE NAME: 4-[[4-oxo-2-[1-(3-pyridylmethylcarbamoyl)propylsulfanyl]thieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid
CAS Name: 4-[[4-oxo-2-[[1-oxo-1-(3-pyridinylmethylamino)butan-2-yl]thio]-3-thieno[3,2-d]pyrimidinyl]methyl]benzoic acid
IUPAC NAME: 4-[[4-oxo-2-[1-oxo-1-(pyridin-3-ylmethylamino)butan-2-yl]sulfanylthieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid
SYSTEMATIC NAME: 4-[[4-oxidanylidene-2-[1-oxidanylidene-1-(pyridin-3-ylmethylamino)butan-2-yl]sulfanyl-thieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid
MOLECULAR FORMULA: C24H22N4O4S2
MOLECULAR WEIGHT: 494.58588
SMILES: CCC(C(=O)NCC1=CN=CC=C1)SC2=NC3=C(C(=O)N2CC4=CC=C(C=C4)C(=O)O)SC=C3
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Product OPENEYE NAME: 4-[[2-[2-(4-isopropylanilino)-2-oxo-ethyl]sulfanyl-4-oxo-thieno[3,2-d]pyrimidin-3-yl]methyl]benzoate
CAS Name: 4-[[4-oxo-2-[[2-oxo-2-(4-propan-2-ylanilino)ethyl]thio]-3-thieno[3,2-d]pyrimidinyl]methyl]benzoate
IUPAC NAME: 4-[[4-oxo-2-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylthieno[3,2-d]pyrimidin-3-yl]methyl]benzoate
SYSTEMATIC NAME: 4-[[4-oxidanylidene-2-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]sulfanyl-thieno[3,2-d]pyrimidin-3-yl]methyl]benzoate
MOLECULAR FORMULA: C25H22N3O4S2-
MOLECULAR WEIGHT: 492.58988
SMILES: CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=C(C=C4)C(=O)[O-])SC=C3
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