Monday, November 28, 2011

All Chemical Compounds Information




Product OPENEYE NAME: (E)-2-(5-chloro-2-thienyl)-N-[1-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluoro-phenyl]-2-oxo-pyrrolidin-3-yl]ethenesulfonamide
CAS Name: (E)-2-(5-chloro-2-thiophenyl)-N-[1-[4-[2-[(dimethylamino)methyl]-1-imidazolyl]-2-fluorophenyl]-2-oxo-3-pyrrolidinyl]ethenesulfonamide
IUPAC NAME: (E)-2-(5-chlorothiophen-2-yl)-N-[1-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-2-oxopyrrolidin-3-yl]ethenesulfonamide
SYSTEMATIC NAME: (E)-2-(5-chloranylthiophen-2-yl)-N-[1-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluoranyl-phenyl]-2-oxidanylidene-pyrrolidin-3-yl]ethenesulfonamide
MOLECULAR FORMULA: C22H23ClFN5O3S2
MOLECULAR WEIGHT: 524.031123
SMILES: CN(C)CC1=NC=CN1C2=CC(=C(C=C2)N3CCC(C3=O)NS(=O)(=O)/C=C/C4=CC=C(S4)Cl)F
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Product OPENEYE NAME: sodium 1-amino-4-(3-nitroanilino)-9,10-dioxo-anthracene-2-sulfonate
CAS Name: sodium 1-amino-4-(3-nitroanilino)-9,10-dioxo-2-anthracenesulfonate
IUPAC NAME: sodium 1-amino-4-(3-nitroanilino)-9,10-dioxoanthracene-2-sulfonate
SYSTEMATIC NAME: sodium 1-azanyl-4-[(3-nitrophenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate
MOLECULAR FORMULA: C20H12N3NaO7S
MOLECULAR WEIGHT: 461.37995
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=CC=C4)[N+](=O)[O-])S(=O)(=O)[O-])N.[Na+]
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Product OPENEYE NAME: sodium 1-amino-4-(3-chloroanilino)-9,10-dioxo-anthracene-2-sulfonate
CAS Name: sodium 1-amino-4-(3-chloroanilino)-9,10-dioxo-2-anthracenesulfonate
IUPAC NAME: sodium 1-amino-4-(3-chloroanilino)-9,10-dioxoanthracene-2-sulfonate
SYSTEMATIC NAME: sodium 1-azanyl-4-[(3-chlorophenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate
MOLECULAR FORMULA: C20H12ClN2NaO5S
MOLECULAR WEIGHT: 450.82745
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=CC=C4)Cl)S(=O)(=O)[O-])N.[Na+]
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Product OPENEYE NAME: 2-(3-fluorophenyl)-3,5-diphenyl-tetrazol-3-ium chloride
CAS Name: 2-(3-fluorophenyl)-3,5-diphenyltetrazol-3-ium chloride
IUPAC NAME: 2-(3-fluorophenyl)-3,5-diphenyltetrazol-3-ium chloride
SYSTEMATIC NAME: 2-(3-fluorophenyl)-3,5-diphenyl-1,2,3,4-tetrazol-3-ium chloride
MOLECULAR FORMULA: C19H14ClFN4
MOLECULAR WEIGHT: 352.792663
SMILES: C1=CC=C(C=C1)C2=NN([N+](=N2)C3=CC=CC=C3)C4=CC(=CC=C4)F.[Cl-]
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Product OPENEYE NAME: 2-(3-fluorophenyl)-3,5-diphenyl-tetrazol-3-ium
CAS Name: 2-(3-fluorophenyl)-3,5-diphenyltetrazol-3-ium
IUPAC NAME: 2-(3-fluorophenyl)-3,5-diphenyltetrazol-3-ium
SYSTEMATIC NAME: 2-(3-fluorophenyl)-3,5-diphenyl-1,2,3,4-tetrazol-3-ium
MOLECULAR FORMULA: C19H14FN4+
MOLECULAR WEIGHT: 317.339663
SMILES: C1=CC=C(C=C1)C2=NN([N+](=N2)C3=CC=CC=C3)C4=CC(=CC=C4)F
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Product OPENEYE NAME: sodium 1-amino-4-(4-ethoxyanilino)-9,10-dioxo-anthracene-2-sulfonate
CAS Name: sodium 1-amino-4-(4-ethoxyanilino)-9,10-dioxo-2-anthracenesulfonate
IUPAC NAME: sodium 1-amino-4-(4-ethoxyanilino)-9,10-dioxoanthracene-2-sulfonate
SYSTEMATIC NAME: sodium 1-azanyl-4-[(4-ethoxyphenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate
MOLECULAR FORMULA: C22H17N2NaO6S
MOLECULAR WEIGHT: 460.43495
SMILES: CCOC1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+]
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Product OPENEYE NAME: 2-(2-fluorophenyl)-3-phenyl-5-(4-phenylphenyl)tetrazol-2-ium chloride
CAS Name: 2-(2-fluorophenyl)-3-phenyl-5-(4-phenylphenyl)tetrazol-2-ium chloride
IUPAC NAME: 2-(2-fluorophenyl)-3-phenyl-5-(4-phenylphenyl)tetrazol-2-ium chloride
SYSTEMATIC NAME: 2-(2-fluorophenyl)-3-phenyl-5-(4-phenylphenyl)-1,2,3,4-tetrazol-2-ium chloride
MOLECULAR FORMULA: C25H18ClFN4
MOLECULAR WEIGHT: 428.888623
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN([N+](=N3)C4=CC=CC=C4F)C5=CC=CC=C5.[Cl-]
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Product OPENEYE NAME: 2-(2-fluorophenyl)-3-phenyl-5-(4-phenylphenyl)tetrazol-2-ium
CAS Name: 2-(2-fluorophenyl)-3-phenyl-5-(4-phenylphenyl)tetrazol-2-ium
IUPAC NAME: 2-(2-fluorophenyl)-3-phenyl-5-(4-phenylphenyl)tetrazol-2-ium
SYSTEMATIC NAME: 2-(2-fluorophenyl)-3-phenyl-5-(4-phenylphenyl)-1,2,3,4-tetrazol-2-ium
MOLECULAR FORMULA: C25H18FN4+
MOLECULAR WEIGHT: 393.435623
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN([N+](=N3)C4=CC=CC=C4F)C5=CC=CC=C5
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Product OPENEYE NAME: 5-(4-benzyloxy-3-methoxy-phenyl)-2-(2-fluorophenyl)-3-phenyl-tetrazol-2-ium chloride
CAS Name: 2-(2-fluorophenyl)-5-(3-methoxy-4-phenylmethoxyphenyl)-3-phenyltetrazol-2-ium chloride
IUPAC NAME: 2-(2-fluorophenyl)-5-(3-methoxy-4-phenylmethoxyphenyl)-3-phenyltetrazol-2-ium chloride
SYSTEMATIC NAME: 2-(2-fluorophenyl)-5-(3-methoxy-4-phenylmethoxy-phenyl)-3-phenyl-1,2,3,4-tetrazol-2-ium chloride
MOLECULAR FORMULA: C27H22ClFN4O2
MOLECULAR WEIGHT: 488.940583
SMILES: COC1=C(C=CC(=C1)C2=NN([N+](=N2)C3=CC=CC=C3F)C4=CC=CC=C4)OCC5=CC=CC=C5.[Cl-]
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Product OPENEYE NAME: 5-(4-benzyloxy-3-methoxy-phenyl)-2-(2-fluorophenyl)-3-phenyl-tetrazol-2-ium
CAS Name: 2-(2-fluorophenyl)-5-(3-methoxy-4-phenylmethoxyphenyl)-3-phenyltetrazol-2-ium
IUPAC NAME: 2-(2-fluorophenyl)-5-(3-methoxy-4-phenylmethoxyphenyl)-3-phenyltetrazol-2-ium
SYSTEMATIC NAME: 2-(2-fluorophenyl)-5-(3-methoxy-4-phenylmethoxy-phenyl)-3-phenyl-1,2,3,4-tetrazol-2-ium
MOLECULAR FORMULA: C27H22FN4O2+
MOLECULAR WEIGHT: 453.487583
SMILES: COC1=C(C=CC(=C1)C2=NN([N+](=N2)C3=CC=CC=C3F)C4=CC=CC=C4)OCC5=CC=CC=C5
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Product OPENEYE NAME: 2-[3-(4-iodophenyl)-5-phenyl-tetrazol-2-ium-2-yl]-4,5-dimethyl-thiazole bromide
CAS Name: 2-[3-(4-iodophenyl)-5-phenyl-2-tetrazol-2-iumyl]-4,5-dimethylthiazole bromide
IUPAC NAME: 2-[3-(4-iodophenyl)-5-phenyltetrazol-2-ium-2-yl]-4,5-dimethyl-1,3-thiazole bromide
SYSTEMATIC NAME: 2-[3-(4-iodophenyl)-5-phenyl-1,2,3,4-tetrazol-2-ium-2-yl]-4,5-dimethyl-1,3-thiazole bromide
MOLECULAR FORMULA: C18H15BrIN5S
MOLECULAR WEIGHT: 540.21867
SMILES: CC1=C(SC(=N1)[N+]2=NC(=NN2C3=CC=C(C=C3)I)C4=CC=CC=C4)C.[Br-]
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Product OPENEYE NAME: 2-[3-(4-iodophenyl)-5-phenyl-tetrazol-2-ium-2-yl]-4,5-dimethyl-thiazole
CAS Name: 2-[3-(4-iodophenyl)-5-phenyl-2-tetrazol-2-iumyl]-4,5-dimethylthiazole
IUPAC NAME: 2-[3-(4-iodophenyl)-5-phenyltetrazol-2-ium-2-yl]-4,5-dimethyl-1,3-thiazole
SYSTEMATIC NAME: 2-[3-(4-iodophenyl)-5-phenyl-1,2,3,4-tetrazol-2-ium-2-yl]-4,5-dimethyl-1,3-thiazole
MOLECULAR FORMULA: C18H15IN5S+
MOLECULAR WEIGHT: 460.31467
SMILES: CC1=C(SC(=N1)[N+]2=NC(=NN2C3=CC=C(C=C3)I)C4=CC=CC=C4)C
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Product OPENEYE NAME: 5-(4-benzyloxyphenyl)-2-(2-fluorophenyl)-3-phenyl-tetrazol-2-ium chloride
CAS Name: 2-(2-fluorophenyl)-3-phenyl-5-(4-phenylmethoxyphenyl)tetrazol-2-ium chloride
IUPAC NAME: 2-(2-fluorophenyl)-3-phenyl-5-(4-phenylmethoxyphenyl)tetrazol-2-ium chloride
SYSTEMATIC NAME: 2-(2-fluorophenyl)-3-phenyl-5-(4-phenylmethoxyphenyl)-1,2,3,4-tetrazol-2-ium chloride
MOLECULAR FORMULA: C26H20ClFN4O
MOLECULAR WEIGHT: 458.914603
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN([N+](=N3)C4=CC=CC=C4F)C5=CC=CC=C5.[Cl-]
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Product OPENEYE NAME: 5-(4-benzyloxyphenyl)-2-(2-fluorophenyl)-3-phenyl-tetrazol-2-ium
CAS Name: 2-(2-fluorophenyl)-3-phenyl-5-(4-phenylmethoxyphenyl)tetrazol-2-ium
IUPAC NAME: 2-(2-fluorophenyl)-3-phenyl-5-(4-phenylmethoxyphenyl)tetrazol-2-ium
SYSTEMATIC NAME: 2-(2-fluorophenyl)-3-phenyl-5-(4-phenylmethoxyphenyl)-1,2,3,4-tetrazol-2-ium
MOLECULAR FORMULA: C26H20FN4O+
MOLECULAR WEIGHT: 423.461603
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN([N+](=N3)C4=CC=CC=C4F)C5=CC=CC=C5
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Product OPENEYE NAME: (2S)-1-[2-(3-methoxyphenyl)ethyl]-2-methyl-pyrrolidine
CAS Name: (2S)-1-[2-(3-methoxyphenyl)ethyl]-2-methylpyrrolidine
IUPAC NAME: (2S)-1-[2-(3-methoxyphenyl)ethyl]-2-methylpyrrolidine
SYSTEMATIC NAME: (2S)-1-[2-(3-methoxyphenyl)ethyl]-2-methyl-pyrrolidine
MOLECULAR FORMULA: C14H21NO
MOLECULAR WEIGHT: 219.32264
SMILES: C[C@H]1CCCN1CCC2=CC(=CC=C2)OC
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Product OPENEYE NAME: (2R)-1-[2-(3-methoxyphenyl)ethyl]-2-methyl-pyrrolidine
CAS Name: (2R)-1-[2-(3-methoxyphenyl)ethyl]-2-methylpyrrolidine
IUPAC NAME: (2R)-1-[2-(3-methoxyphenyl)ethyl]-2-methylpyrrolidine
SYSTEMATIC NAME: (2R)-1-[2-(3-methoxyphenyl)ethyl]-2-methyl-pyrrolidine
MOLECULAR FORMULA: C14H21NO
MOLECULAR WEIGHT: 219.32264
SMILES: C[C@@H]1CCCN1CCC2=CC(=CC=C2)OC
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Product OPENEYE NAME: 5-[2-(2,6-difluorophenyl)-4-phenyl-1H-imidazol-5-yl]-3-isobutyl-imidazo[4,5-b]pyridin-2-amine; methanesulfonic acid
CAS Name: 5-[2-(2,6-difluorophenyl)-4-phenyl-1H-imidazol-5-yl]-3-(2-methylpropyl)-2-imidazo[4,5-b]pyridinamine; methanesulfonic acid
IUPAC NAME: 5-[2-(2,6-difluorophenyl)-4-phenyl-1H-imidazol-5-yl]-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-amine; methanesulfonic acid
SYSTEMATIC NAME: 5-[2-[2,6-bis(fluoranyl)phenyl]-4-phenyl-1H-imidazol-5-yl]-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-amine; methanesulfonic acid
MOLECULAR FORMULA: C26H26F2N6O3S
MOLECULAR WEIGHT: 540.584846
SMILES: CC(C)CN1C2=C(C=CC(=N2)C3=C(N=C(N3)C4=C(C=CC=C4F)F)C5=CC=CC=C5)N=C1N.CS(=O)(=O)O
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Product OPENEYE NAME: 5-[2-(2,6-difluorophenyl)-4-phenyl-1H-imidazol-5-yl]-3-isobutyl-imidazo[4,5-b]pyridin-2-amine
CAS Name: 5-[2-(2,6-difluorophenyl)-4-phenyl-1H-imidazol-5-yl]-3-(2-methylpropyl)-2-imidazo[4,5-b]pyridinamine
IUPAC NAME: 5-[2-(2,6-difluorophenyl)-4-phenyl-1H-imidazol-5-yl]-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-amine
SYSTEMATIC NAME: 5-[2-[2,6-bis(fluoranyl)phenyl]-4-phenyl-1H-imidazol-5-yl]-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-amine
MOLECULAR FORMULA: C25H22F2N6
MOLECULAR WEIGHT: 444.479186
SMILES: CC(C)CN1C2=C(C=CC(=N2)C3=C(N=C(N3)C4=C(C=CC=C4F)F)C5=CC=CC=C5)N=C1N
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Product OPENEYE NAME: (2S)-1-[2-(2-methoxyphenyl)ethyl]-2-methyl-pyrrolidine
CAS Name: (2S)-1-[2-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine
IUPAC NAME: (2S)-1-[2-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine
SYSTEMATIC NAME: (2S)-1-[2-(2-methoxyphenyl)ethyl]-2-methyl-pyrrolidine
MOLECULAR FORMULA: C14H21NO
MOLECULAR WEIGHT: 219.32264
SMILES: C[C@H]1CCCN1CCC2=CC=CC=C2OC
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Product OPENEYE NAME: (2R)-1-[2-(2-methoxyphenyl)ethyl]-2-methyl-pyrrolidine
CAS Name: (2R)-1-[2-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine
IUPAC NAME: (2R)-1-[2-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine
SYSTEMATIC NAME: (2R)-1-[2-(2-methoxyphenyl)ethyl]-2-methyl-pyrrolidine
MOLECULAR FORMULA: C14H21NO
MOLECULAR WEIGHT: 219.32264
SMILES: C[C@@H]1CCCN1CCC2=CC=CC=C2OC
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Product OPENEYE NAME: 5-[2-(2,6-difluorophenyl)-4-phenyl-1H-imidazol-5-yl]-3-isopropylsulfonyl-imidazo[4,5-b]pyridin-2-amine; methanesulfonic acid
CAS Name: 5-[2-(2,6-difluorophenyl)-4-phenyl-1H-imidazol-5-yl]-3-propan-2-ylsulfonyl-2-imidazo[4,5-b]pyridinamine; methanesulfonic acid
IUPAC NAME: 5-[2-(2,6-difluorophenyl)-4-phenyl-1H-imidazol-5-yl]-3-propan-2-ylsulfonylimidazo[4,5-b]pyridin-2-amine; methanesulfonic acid
SYSTEMATIC NAME: 5-[2-[2,6-bis(fluoranyl)phenyl]-4-phenyl-1H-imidazol-5-yl]-3-propan-2-ylsulfonyl-imidazo[4,5-b]pyridin-2-amine; methanesulfonic acid
MOLECULAR FORMULA: C25H24F2N6O5S2
MOLECULAR WEIGHT: 590.622066
SMILES: CC(C)S(=O)(=O)N1C2=C(C=CC(=N2)C3=C(N=C(N3)C4=C(C=CC=C4F)F)C5=CC=CC=C5)N=C1N.CS(=O)(=O)O
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Product OPENEYE NAME: 5-[2-(2,6-difluorophenyl)-4-phenyl-1H-imidazol-5-yl]-3-isopropylsulfonyl-imidazo[4,5-b]pyridin-2-amine
CAS Name: 5-[2-(2,6-difluorophenyl)-4-phenyl-1H-imidazol-5-yl]-3-propan-2-ylsulfonyl-2-imidazo[4,5-b]pyridinamine
IUPAC NAME: 5-[2-(2,6-difluorophenyl)-4-phenyl-1H-imidazol-5-yl]-3-propan-2-ylsulfonylimidazo[4,5-b]pyridin-2-amine
SYSTEMATIC NAME: 5-[2-[2,6-bis(fluoranyl)phenyl]-4-phenyl-1H-imidazol-5-yl]-3-propan-2-ylsulfonyl-imidazo[4,5-b]pyridin-2-amine
MOLECULAR FORMULA: C24H20F2N6O2S
MOLECULAR WEIGHT: 494.516406
SMILES: CC(C)S(=O)(=O)N1C2=C(C=CC(=N2)C3=C(N=C(N3)C4=C(C=CC=C4F)F)C5=CC=CC=C5)N=C1N
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Product OPENEYE NAME: (2R)-2-amino-N-[2-[[4-[2-[[(2R)-2-amino-4-methylsulfanyl-butanoyl]amino]ethylamino]-9,10-dioxo-1-anthryl]amino]ethyl]-4-methylsulfanyl-butanamide
CAS Name: (2R)-2-amino-N-[2-[[4-[2-[[(2R)-2-amino-4-(methylthio)-1-oxobutyl]amino]ethylamino]-9,10-dioxo-1-anthracenyl]amino]ethyl]-4-(methylthio)butanamide
IUPAC NAME: (2R)-2-amino-N-[2-[[4-[2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethyl]-4-methylsulfanylbutanamide
SYSTEMATIC NAME: (2R)-2-azanyl-N-[2-[[4-[2-[[(2R)-2-azanyl-4-methylsulfanyl-butanoyl]amino]ethylamino]-9,10-bis(oxidanylidene)anthracen-1-yl]amino]ethyl]-4-methylsulfanyl-butanamide
MOLECULAR FORMULA: C28H38N6O4S2
MOLECULAR WEIGHT: 586.76912
SMILES: CSCC[C@H](C(=O)NCCNC1=C2C(=C(C=C1)NCCNC(=O)[C@@H](CCSC)N)C(=O)C3=CC=CC=C3C2=O)N
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