Sunday, October 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: methyl 3-[(4-tert-butylbenzoyl)amino]-5-(4-tert-butylphenyl)thiophene-2-carboxylate
CAS Name: 5-(4-tert-butylphenyl)-3-[[(4-tert-butylphenyl)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 3-[(4-tert-butylbenzoyl)amino]-5-(4-tert-butylphenyl)thiophene-2-carboxylate
SYSTEMATIC NAME: methyl 5-(4-tert-butylphenyl)-3-[(4-tert-butylphenyl)carbonylamino]thiophene-2-carboxylate
MOLECULAR FORMULA: C27H31NO3S
MOLECULAR WEIGHT: 449.60494
SMILES: CC(C)(C)C1=CC=C(C=C1)C2=CC(=C(S2)C(=O)OC)NC(=O)C3=CC=C(C=C3)C(C)(C)C
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Product OPENEYE NAME: 3-(4-oxo-1H-quinazolin-2-yl)pyrazine-2-carboxylic acid
CAS Name: 3-(4-oxo-1H-quinazolin-2-yl)-2-pyrazinecarboxylic acid
IUPAC NAME: 3-(4-oxo-1H-quinazolin-2-yl)pyrazine-2-carboxylic acid
SYSTEMATIC NAME: 3-(4-oxidanylidene-1H-quinazolin-2-yl)pyrazine-2-carboxylic acid
MOLECULAR FORMULA: C13H8N4O3
MOLECULAR WEIGHT: 268.22762
SMILES: C1=CC=C2C(=C1)C(=O)N=C(N2)C3=NC=CN=C3C(=O)O
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Product OPENEYE NAME: 3-(4-carbamoylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid
CAS Name: 3-[(4-carbamoyl-1-piperidinyl)-oxomethyl]-2-pyrazinecarboxylic acid
IUPAC NAME: 3-(4-carbamoylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid
SYSTEMATIC NAME: 3-(4-aminocarbonylpiperidin-1-yl)carbonylpyrazine-2-carboxylic acid
MOLECULAR FORMULA: C12H14N4O4
MOLECULAR WEIGHT: 278.26396
SMILES: C1CN(CCC1C(=O)N)C(=O)C2=NC=CN=C2C(=O)O
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Product OPENEYE NAME: 3-(4-methylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid
CAS Name: 3-[(4-methyl-1-piperazinyl)-oxomethyl]-2-pyrazinecarboxylic acid
IUPAC NAME: 3-(4-methylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid
SYSTEMATIC NAME: 3-(4-methylpiperazin-1-yl)carbonylpyrazine-2-carboxylic acid
MOLECULAR FORMULA: C11H14N4O3
MOLECULAR WEIGHT: 250.25386
SMILES: CN1CCN(CC1)C(=O)C2=NC=CN=C2C(=O)O
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Product OPENEYE NAME: 3-(azepane-1-carbonyl)pyrazine-2-carboxylic acid
CAS Name: 3-[1-azepanyl(oxo)methyl]-2-pyrazinecarboxylic acid
IUPAC NAME: 3-(azepane-1-carbonyl)pyrazine-2-carboxylic acid
SYSTEMATIC NAME: 3-(azepan-1-ylcarbonyl)pyrazine-2-carboxylic acid
MOLECULAR FORMULA: C12H15N3O3
MOLECULAR WEIGHT: 249.2658
SMILES: C1CCCN(CC1)C(=O)C2=NC=CN=C2C(=O)O
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Product OPENEYE NAME: 3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid hydrate
CAS Name: 3-[[4-(2-hydroxyethyl)-1-piperazinyl]-oxomethyl]-2-pyrazinecarboxylic acid hydrate
IUPAC NAME: 3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid hydrate
SYSTEMATIC NAME: 3-[4-(2-hydroxyethyl)piperazin-1-yl]carbonylpyrazine-2-carboxylic acid hydrate
MOLECULAR FORMULA: C12H18N4O5
MOLECULAR WEIGHT: 298.29512
SMILES: C1CN(CCN1CCO)C(=O)C2=NC=CN=C2C(=O)O.O
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Product OPENEYE NAME: 3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid
CAS Name: 3-[[4-(2-hydroxyethyl)-1-piperazinyl]-oxomethyl]-2-pyrazinecarboxylic acid
IUPAC NAME: 3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid
SYSTEMATIC NAME: 3-[4-(2-hydroxyethyl)piperazin-1-yl]carbonylpyrazine-2-carboxylic acid
MOLECULAR FORMULA: C12H16N4O4
MOLECULAR WEIGHT: 280.27984
SMILES: C1CN(CCN1CCO)C(=O)C2=NC=CN=C2C(=O)O
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Product OPENEYE NAME: 3-[4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]pyrazine-2-carboxylic acid
CAS Name: 3-[oxo-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methyl]-2-pyrazinecarboxylic acid
IUPAC NAME: 3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl]pyrazine-2-carboxylic acid
SYSTEMATIC NAME: 3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonylpyrazine-2-carboxylic acid
MOLECULAR FORMULA: C16H14F3N5O3
MOLECULAR WEIGHT: 381.30927
SMILES: C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=O)C3=NC=CN=C3C(=O)O
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Product OPENEYE NAME: methyl 5-[(4-carbamoyl-1-piperidyl)sulfonyl]-1-methyl-pyrrole-2-carboxylate
CAS Name: 5-[(4-carbamoyl-1-piperidinyl)sulfonyl]-1-methyl-2-pyrrolecarboxylic acid methyl ester
IUPAC NAME: methyl 5-(4-carbamoylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxylate
SYSTEMATIC NAME: methyl 5-(4-aminocarbonylpiperidin-1-yl)sulfonyl-1-methyl-pyrrole-2-carboxylate
MOLECULAR FORMULA: C13H19N3O5S
MOLECULAR WEIGHT: 329.37206
SMILES: CN1C(=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)N)C(=O)OC
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Product OPENEYE NAME: methyl 1-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-pyrrole-2-carboxylate
CAS Name: 1-methyl-5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyrrolecarboxylic acid methyl ester
IUPAC NAME: methyl 1-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyrrole-2-carboxylate
SYSTEMATIC NAME: methyl 1-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-pyrrole-2-carboxylate
MOLECULAR FORMULA: C12H19N3O4S
MOLECULAR WEIGHT: 301.36196
SMILES: CN1CCN(CC1)S(=O)(=O)C2=CC=C(N2C)C(=O)OC
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Product OPENEYE NAME: methyl 5-(azepan-1-ylsulfonyl)-1-methyl-pyrrole-2-carboxylate
CAS Name: 5-(1-azepanylsulfonyl)-1-methyl-2-pyrrolecarboxylic acid methyl ester
IUPAC NAME: methyl 5-(azepan-1-ylsulfonyl)-1-methylpyrrole-2-carboxylate
SYSTEMATIC NAME: methyl 5-(azepan-1-ylsulfonyl)-1-methyl-pyrrole-2-carboxylate
MOLECULAR FORMULA: C13H20N2O4S
MOLECULAR WEIGHT: 300.3739
SMILES: CN1C(=CC=C1S(=O)(=O)N2CCCCCC2)C(=O)OC
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Product OPENEYE NAME: methyl 5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylate
CAS Name: 5-[[4-(2-hydroxyethyl)-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxylic acid methyl ester
IUPAC NAME: methyl 5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate
SYSTEMATIC NAME: methyl 5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylate
MOLECULAR FORMULA: C13H21N3O5S
MOLECULAR WEIGHT: 331.38794
SMILES: CN1C(=CC=C1S(=O)(=O)N2CCN(CC2)CCO)C(=O)OC
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Product OPENEYE NAME: methyl 5-(4-benzhydrylpiperazin-1-yl)sulfonyl-1-methyl-pyrrole-2-carboxylate
CAS Name: 5-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxylic acid methyl ester
IUPAC NAME: methyl 5-(4-benzhydrylpiperazin-1-yl)sulfonyl-1-methylpyrrole-2-carboxylate
SYSTEMATIC NAME: methyl 5-[4-(diphenylmethyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylate
MOLECULAR FORMULA: C24H27N3O4S
MOLECULAR WEIGHT: 453.55388
SMILES: CN1C(=CC=C1S(=O)(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC
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Product OPENEYE NAME: methyl 5-[[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]sulfonyl]-1-methyl-pyrrole-2-carboxylate
CAS Name: 5-[[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]sulfonyl]-1-methyl-2-pyrrolecarboxylic acid methyl ester
IUPAC NAME: methyl 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate
SYSTEMATIC NAME: methyl 5-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylate
MOLECULAR FORMULA: C18H21ClN2O5S
MOLECULAR WEIGHT: 412.88774
SMILES: CN1C(=CC=C1S(=O)(=O)N2CCC(CC2)(C3=CC=C(C=C3)Cl)O)C(=O)OC
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Product OPENEYE NAME: methyl 1-methyl-5-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxylate
CAS Name: 1-methyl-5-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]sulfonyl]-2-pyrrolecarboxylic acid methyl ester
IUPAC NAME: methyl 1-methyl-5-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylpyrrole-2-carboxylate
SYSTEMATIC NAME: methyl 1-methyl-5-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxylate
MOLECULAR FORMULA: C17H19F3N4O4S
MOLECULAR WEIGHT: 432.41737
SMILES: CN1C(=CC=C1S(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)C(=O)OC
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Product OPENEYE NAME: 4-[3-(2,5-dimethylpyrrol-1-yl)-4-fluoro-indazol-1-yl]sulfonyl-2,1,3-benzoxadiazole
CAS Name: 4-[[3-(2,5-dimethyl-1-pyrrolyl)-4-fluoro-1-indazolyl]sulfonyl]-2,1,3-benzoxadiazole
IUPAC NAME: 4-[3-(2,5-dimethylpyrrol-1-yl)-4-fluoroindazol-1-yl]sulfonyl-2,1,3-benzoxadiazole
SYSTEMATIC NAME: 4-[3-(2,5-dimethylpyrrol-1-yl)-4-fluoranyl-indazol-1-yl]sulfonyl-2,1,3-benzoxadiazole
MOLECULAR FORMULA: C19H14FN5O3S
MOLECULAR WEIGHT: 411.409563
SMILES: CC1=CC=C(N1C2=NN(C3=C2C(=CC=C3)F)S(=O)(=O)C4=CC=CC5=NON=C54)C
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Product OPENEYE NAME: 3-(2,5-dimethylpyrrol-1-yl)-4-fluoro-1-[(4-methyl-1-naphthyl)sulfonyl]indazole
CAS Name: 3-(2,5-dimethyl-1-pyrrolyl)-4-fluoro-1-[(4-methyl-1-naphthalenyl)sulfonyl]indazole
IUPAC NAME: 3-(2,5-dimethylpyrrol-1-yl)-4-fluoro-1-(4-methylnaphthalen-1-yl)sulfonylindazole
SYSTEMATIC NAME: 3-(2,5-dimethylpyrrol-1-yl)-4-fluoranyl-1-(4-methylnaphthalen-1-yl)sulfonyl-indazole
MOLECULAR FORMULA: C24H20FN3O2S
MOLECULAR WEIGHT: 433.497903
SMILES: CC1=CC=C(C2=CC=CC=C12)S(=O)(=O)N3C4=C(C(=CC=C4)F)C(=N3)N5C(=CC=C5C)C
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Product OPENEYE NAME: 8-[3-(2,5-dimethylpyrrol-1-yl)-4-fluoro-indazol-1-yl]sulfonylquinoline
CAS Name: 8-[[3-(2,5-dimethyl-1-pyrrolyl)-4-fluoro-1-indazolyl]sulfonyl]quinoline
IUPAC NAME: 8-[3-(2,5-dimethylpyrrol-1-yl)-4-fluoroindazol-1-yl]sulfonylquinoline
SYSTEMATIC NAME: 8-[3-(2,5-dimethylpyrrol-1-yl)-4-fluoranyl-indazol-1-yl]sulfonylquinoline
MOLECULAR FORMULA: C22H17FN4O2S
MOLECULAR WEIGHT: 420.459383
SMILES: CC1=CC=C(N1C2=NN(C3=C2C(=CC=C3)F)S(=O)(=O)C4=CC=CC5=C4N=CC=C5)C
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Product OPENEYE NAME: 1-(benzenesulfonyl)-3-(2,5-dimethylpyrrol-1-yl)-4-fluoro-indazole
CAS Name: 1-(benzenesulfonyl)-3-(2,5-dimethyl-1-pyrrolyl)-4-fluoroindazole
IUPAC NAME: 1-(benzenesulfonyl)-3-(2,5-dimethylpyrrol-1-yl)-4-fluoroindazole
SYSTEMATIC NAME: 3-(2,5-dimethylpyrrol-1-yl)-4-fluoranyl-1-(phenylsulfonyl)indazole
MOLECULAR FORMULA: C19H16FN3O2S
MOLECULAR WEIGHT: 369.412643
SMILES: CC1=CC=C(N1C2=NN(C3=C2C(=CC=C3)F)S(=O)(=O)C4=CC=CC=C4)C
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Product OPENEYE NAME: 3-(2,5-dimethylpyrrol-1-yl)-4-fluoro-1-methylsulfonyl-indazole
CAS Name: 3-(2,5-dimethyl-1-pyrrolyl)-4-fluoro-1-methylsulfonylindazole
IUPAC NAME: 3-(2,5-dimethylpyrrol-1-yl)-4-fluoro-1-methylsulfonylindazole
SYSTEMATIC NAME: 3-(2,5-dimethylpyrrol-1-yl)-4-fluoranyl-1-methylsulfonyl-indazole
MOLECULAR FORMULA: C14H14FN3O2S
MOLECULAR WEIGHT: 307.343263
SMILES: CC1=CC=C(N1C2=NN(C3=C2C(=CC=C3)F)S(=O)(=O)C)C
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Product OPENEYE NAME: 3-(2,5-dimethylpyrrol-1-yl)-4-fluoro-1-[3-(trifluoromethyl)phenyl]sulfonyl-indazole
CAS Name: 3-(2,5-dimethyl-1-pyrrolyl)-4-fluoro-1-[3-(trifluoromethyl)phenyl]sulfonylindazole
IUPAC NAME: 3-(2,5-dimethylpyrrol-1-yl)-4-fluoro-1-[3-(trifluoromethyl)phenyl]sulfonylindazole
SYSTEMATIC NAME: 3-(2,5-dimethylpyrrol-1-yl)-4-fluoranyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-indazole
MOLECULAR FORMULA: C20H15F4N3O2S
MOLECULAR WEIGHT: 437.410613
SMILES: CC1=CC=C(N1C2=NN(C3=C2C(=CC=C3)F)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F)C
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Product OPENEYE NAME: 1-(3,4-dimethoxyphenyl)sulfonyl-3-(2,5-dimethylpyrrol-1-yl)-4-fluoro-indazole
CAS Name: 1-(3,4-dimethoxyphenyl)sulfonyl-3-(2,5-dimethyl-1-pyrrolyl)-4-fluoroindazole
IUPAC NAME: 1-(3,4-dimethoxyphenyl)sulfonyl-3-(2,5-dimethylpyrrol-1-yl)-4-fluoroindazole
SYSTEMATIC NAME: 1-(3,4-dimethoxyphenyl)sulfonyl-3-(2,5-dimethylpyrrol-1-yl)-4-fluoranyl-indazole
MOLECULAR FORMULA: C21H20FN3O4S
MOLECULAR WEIGHT: 429.464603
SMILES: CC1=CC=C(N1C2=NN(C3=C2C(=CC=C3)F)S(=O)(=O)C4=CC(=C(C=C4)OC)OC)C
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