Tuesday, October 30, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N,N-bis(2-pyridylmethyl)benzothiophene-2-carboxamide
CAS Name: N,N-bis(2-pyridinylmethyl)-1-benzothiophene-2-carboxamide
IUPAC NAME: N,N-bis(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide
SYSTEMATIC NAME: N,N-bis(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide
MOLECULAR FORMULA: C21H17N3OS
MOLECULAR WEIGHT: 359.44418
SMILES: C1=CC=C2C(=C1)C=C(S2)C(=O)N(CC3=CC=CC=N3)CC4=CC=CC=N4
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Product OPENEYE NAME: benzothiophen-2-yl-[4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]methanone
CAS Name: 1-benzothiophen-2-yl-[4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]methanone
IUPAC NAME: 1-benzothiophen-2-yl-[4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]methanone
SYSTEMATIC NAME: 1-benzothiophen-2-yl-[4-(6-chloranyl-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]methanone
MOLECULAR FORMULA: C21H18ClN3OS2
MOLECULAR WEIGHT: 427.97012
SMILES: C1CN(CCN(C1)C(=O)C2=CC3=CC=CC=C3S2)C4=NC5=C(S4)C=C(C=C5)Cl
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Product OPENEYE NAME: N-(6-ethoxy-1,3-benzothiazol-2-yl)benzothiophene-2-carboxamide
CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide
IUPAC NAME: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide
SYSTEMATIC NAME: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide
MOLECULAR FORMULA: C18H14N2O2S2
MOLECULAR WEIGHT: 354.44596
SMILES: CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC4=CC=CC=C4S3
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Product OPENEYE NAME: benzothiophen-2-yl-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]methanone
CAS Name: 1-benzothiophen-2-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
IUPAC NAME: 1-benzothiophen-2-yl-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methanone
SYSTEMATIC NAME: 1-benzothiophen-2-yl-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methanone
MOLECULAR FORMULA: C20H18F3N3OS
MOLECULAR WEIGHT: 405.43663
SMILES: C1CN(CCN(C1)C(=O)C2=CC3=CC=CC=C3S2)C4=NC=C(C=C4)C(F)(F)F
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Product OPENEYE NAME: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrazine-2-carboxylic acid
CAS Name: 3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-pyrazinecarboxylic acid
IUPAC NAME: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrazine-2-carboxylic acid
SYSTEMATIC NAME: 3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)pyrazine-2-carboxylic acid
MOLECULAR FORMULA: C15H13N3O3
MOLECULAR WEIGHT: 283.28202
SMILES: C1CN(CC2=CC=CC=C21)C(=O)C3=NC=CN=C3C(=O)O
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Product OPENEYE NAME: 3-[4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepane-1-carbonyl]pyrazine-2-carboxylic acid
CAS Name: 3-[[4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-oxomethyl]-2-pyrazinecarboxylic acid
IUPAC NAME: 3-[4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepane-1-carbonyl]pyrazine-2-carboxylic acid
SYSTEMATIC NAME: 3-[[4-(6-chloranyl-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]carbonyl]pyrazine-2-carboxylic acid
MOLECULAR FORMULA: C18H16ClN5O3S
MOLECULAR WEIGHT: 417.86934
SMILES: C1CN(CCN(C1)C(=O)C2=NC=CN=C2C(=O)O)C3=NC4=C(S3)C=C(C=C4)Cl
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Product OPENEYE NAME: 3-(1,3-benzodioxol-5-ylcarbamoyl)pyrazine-2-carboxylic acid
CAS Name: 3-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-2-pyrazinecarboxylic acid
IUPAC NAME: 3-(1,3-benzodioxol-5-ylcarbamoyl)pyrazine-2-carboxylic acid
SYSTEMATIC NAME: 3-(1,3-benzodioxol-5-ylcarbamoyl)pyrazine-2-carboxylic acid
MOLECULAR FORMULA: C13H9N3O5
MOLECULAR WEIGHT: 287.22766
SMILES: C1OC2=C(O1)C=C(C=C2)NC(=O)C3=NC=CN=C3C(=O)O
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Product OPENEYE NAME: 6-(1,3-benzodioxol-5-yl)pyrrolo[3,4-b]pyrazine-5,7-dione
CAS Name: 6-(1,3-benzodioxol-5-yl)pyrrolo[3,4-b]pyrazine-5,7-dione
IUPAC NAME: 6-(1,3-benzodioxol-5-yl)pyrrolo[3,4-b]pyrazine-5,7-dione
SYSTEMATIC NAME: 6-(1,3-benzodioxol-5-yl)pyrrolo[3,4-b]pyrazine-5,7-dione
MOLECULAR FORMULA: C13H7N3O4
MOLECULAR WEIGHT: 269.21238
SMILES: C1OC2=C(O1)C=C(C=C2)N3C(=O)C4=NC=CN=C4C3=O
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Product OPENEYE NAME: 3-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CAS Name: 3-[oxo-[2-(1-pyrrolidinyl)-5-(trifluoromethyl)anilino]methyl]-2-pyrazinecarboxylic acid
IUPAC NAME: 3-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
SYSTEMATIC NAME: 3-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
MOLECULAR FORMULA: C17H15F3N4O3
MOLECULAR WEIGHT: 380.32121
SMILES: C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=NC=CN=C3C(=O)O
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Product OPENEYE NAME: 3-[(2,5-dichloro-4-pyrrol-1-yl-phenyl)carbamoyl]pyrazine-2-carboxylic acid
CAS Name: 3-[[2,5-dichloro-4-(1-pyrrolyl)anilino]-oxomethyl]-2-pyrazinecarboxylic acid
IUPAC NAME: 3-[(2,5-dichloro-4-pyrrol-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid
SYSTEMATIC NAME: 3-[[2,5-bis(chloranyl)-4-pyrrol-1-yl-phenyl]carbamoyl]pyrazine-2-carboxylic acid
MOLECULAR FORMULA: C16H10Cl2N4O3
MOLECULAR WEIGHT: 377.1816
SMILES: C1=CN(C=C1)C2=CC(=C(C=C2Cl)NC(=O)C3=NC=CN=C3C(=O)O)Cl
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Product OPENEYE NAME: 3-[[4-[(2-hydroxybenzoyl)amino]phenyl]carbamoyl]pyrazine-2-carboxylic acid
CAS Name: 3-[[4-[[(2-hydroxyphenyl)-oxomethyl]amino]anilino]-oxomethyl]-2-pyrazinecarboxylic acid
IUPAC NAME: 3-[[4-[(2-hydroxybenzoyl)amino]phenyl]carbamoyl]pyrazine-2-carboxylic acid
SYSTEMATIC NAME: 3-[[4-[(2-hydroxyphenyl)carbonylamino]phenyl]carbamoyl]pyrazine-2-carboxylic acid
MOLECULAR FORMULA: C19H14N4O5
MOLECULAR WEIGHT: 378.33826
SMILES: C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=NC=CN=C3C(=O)O)O
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Product OPENEYE NAME: 3-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CAS Name: 3-[[4-(4-methyl-1-piperazinyl)anilino]-oxomethyl]-2-pyrazinecarboxylic acid
IUPAC NAME: 3-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
SYSTEMATIC NAME: 3-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
MOLECULAR FORMULA: C17H19N5O3
MOLECULAR WEIGHT: 341.36446
SMILES: CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=NC=CN=C3C(=O)O
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Product OPENEYE NAME: 3-[(2-methyl-6-quinolyl)carbamoyl]pyrazine-2-carboxylic acid
CAS Name: 3-[[(2-methyl-6-quinolinyl)amino]-oxomethyl]-2-pyrazinecarboxylic acid
IUPAC NAME: 3-[(2-methylquinolin-6-yl)carbamoyl]pyrazine-2-carboxylic acid
SYSTEMATIC NAME: 3-[(2-methylquinolin-6-yl)carbamoyl]pyrazine-2-carboxylic acid
MOLECULAR FORMULA: C16H12N4O3
MOLECULAR WEIGHT: 308.29148
SMILES: CC1=NC2=C(C=C1)C=C(C=C2)NC(=O)C3=NC=CN=C3C(=O)O
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Product OPENEYE NAME: 3-[(4-carboxy-2-methoxy-phenyl)carbamoyl]pyrazine-2-carboxylic acid
CAS Name: 3-[(4-carboxy-2-methoxyanilino)-oxomethyl]-2-pyrazinecarboxylic acid
IUPAC NAME: 3-[(4-carboxy-2-methoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
SYSTEMATIC NAME: 3-[(4-carboxy-2-methoxy-phenyl)carbamoyl]pyrazine-2-carboxylic acid
MOLECULAR FORMULA: C14H11N3O6
MOLECULAR WEIGHT: 317.25364
SMILES: COC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=NC=CN=C2C(=O)O
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Product OPENEYE NAME: 3-[(4-morpholinosulfonylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CAS Name: 3-[[4-(4-morpholinylsulfonyl)anilino]-oxomethyl]-2-pyrazinecarboxylic acid
IUPAC NAME: 3-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]pyrazine-2-carboxylic acid
SYSTEMATIC NAME: 3-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]pyrazine-2-carboxylic acid
MOLECULAR FORMULA: C16H16N4O6S
MOLECULAR WEIGHT: 392.38644
SMILES: C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NC=CN=C3C(=O)O
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Product OPENEYE NAME: 2-[2-[(2,6-dimorpholino-3-pyridyl)amino]-2-oxo-ethyl]sulfanylacetic acid
CAS Name: 2-[[2-[[2,6-bis(4-morpholinyl)-3-pyridinyl]amino]-2-oxoethyl]thio]acetic acid
IUPAC NAME: 2-[2-[(2,6-dimorpholin-4-ylpyridin-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
SYSTEMATIC NAME: 2-[2-[(2,6-dimorpholin-4-ylpyridin-3-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid
MOLECULAR FORMULA: C17H24N4O5S
MOLECULAR WEIGHT: 396.46126
SMILES: C1COCCN1C2=NC(=C(C=C2)NC(=O)CSCC(=O)O)N3CCOCC3
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Product OPENEYE NAME: 2-[2-[(2,6-dimorpholino-3-pyridyl)amino]-2-oxo-ethoxy]acetic acid
CAS Name: 2-[2-[[2,6-bis(4-morpholinyl)-3-pyridinyl]amino]-2-oxoethoxy]acetic acid
IUPAC NAME: 2-[2-[(2,6-dimorpholin-4-ylpyridin-3-yl)amino]-2-oxoethoxy]acetic acid
SYSTEMATIC NAME: 2-[2-[(2,6-dimorpholin-4-ylpyridin-3-yl)amino]-2-oxidanylidene-ethoxy]ethanoic acid
MOLECULAR FORMULA: C17H24N4O6
MOLECULAR WEIGHT: 380.39566
SMILES: C1COCCN1C2=NC(=C(C=C2)NC(=O)COCC(=O)O)N3CCOCC3
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Product OPENEYE NAME: 4-[(2,6-dimorpholino-3-pyridyl)amino]-4-oxo-but-2-enoic acid
CAS Name: 4-[[2,6-bis(4-morpholinyl)-3-pyridinyl]amino]-4-oxo-2-butenoic acid
IUPAC NAME: 4-[(2,6-dimorpholin-4-ylpyridin-3-yl)amino]-4-oxobut-2-enoic acid
SYSTEMATIC NAME: 4-[(2,6-dimorpholin-4-ylpyridin-3-yl)amino]-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C17H22N4O5
MOLECULAR WEIGHT: 362.38038
SMILES: C1COCCN1C2=NC(=C(C=C2)NC(=O)C=CC(=O)O)N3CCOCC3
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Product OPENEYE NAME: N-[2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]phenyl]-1-methyl-imidazole-4-sulfonamide
CAS Name: N-[2-[(2-chloro-6-fluorophenyl)methylthio]phenyl]-1-methyl-4-imidazolesulfonamide
IUPAC NAME: N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenyl]-1-methylimidazole-4-sulfonamide
SYSTEMATIC NAME: N-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]phenyl]-1-methyl-imidazole-4-sulfonamide
MOLECULAR FORMULA: C17H15ClFN3O2S2
MOLECULAR WEIGHT: 411.901303
SMILES: CN1C=C(N=C1)S(=O)(=O)NC2=CC=CC=C2SCC3=C(C=CC=C3Cl)F
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Product OPENEYE NAME: N-[2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]phenyl]thiophene-2-sulfonamide
CAS Name: N-[2-[(2-chloro-6-fluorophenyl)methylthio]phenyl]-2-thiophenesulfonamide
IUPAC NAME: N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenyl]thiophene-2-sulfonamide
SYSTEMATIC NAME: N-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]phenyl]thiophene-2-sulfonamide
MOLECULAR FORMULA: C17H13ClFNO2S3
MOLECULAR WEIGHT: 413.937023
SMILES: C1=CC=C(C(=C1)NS(=O)(=O)C2=CC=CS2)SCC3=C(C=CC=C3Cl)F
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