Wednesday, November 2, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 3-(3-amino-2-phenyl-benzofuran-5-yl)-2-ethyl-N,N-dimethyl-6-oxo-5-(trifluoromethylsulfonyl)pyrimidine-4-carboxamide
CAS Name: 3-(3-amino-2-phenyl-5-benzofuranyl)-2-ethyl-N,N-dimethyl-6-oxo-5-(trifluoromethylsulfonyl)-4-pyrimidinecarboxamide
IUPAC NAME: 3-(3-amino-2-phenyl-1-benzofuran-5-yl)-2-ethyl-N,N-dimethyl-6-oxo-5-(trifluoromethylsulfonyl)pyrimidine-4-carboxamide
SYSTEMATIC NAME: 3-(3-azanyl-2-phenyl-1-benzofuran-5-yl)-2-ethyl-N,N-dimethyl-6-oxidanylidene-5-(trifluoromethylsulfonyl)pyrimidine-4-carboxamide
MOLECULAR FORMULA: C24H21F3N4O5S
MOLECULAR WEIGHT: 534.50755
SMILES: CCC1=NC(=O)C(=C(N1C2=CC3=C(C=C2)OC(=C3N)C4=CC=CC=C4)C(=O)N(C)C)S(=O)(=O)C(F)(F)F
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Product OPENEYE NAME: 2-phenyl-5-(trifluoromethylsulfonylmethyl)benzofuran-3-amine
CAS Name: 2-phenyl-5-(trifluoromethylsulfonylmethyl)-3-benzofuranamine
IUPAC NAME: 2-phenyl-5-(trifluoromethylsulfonylmethyl)-1-benzofuran-3-amine
SYSTEMATIC NAME: 2-phenyl-5-(trifluoromethylsulfonylmethyl)-1-benzofuran-3-amine
MOLECULAR FORMULA: C16H12F3NO3S
MOLECULAR WEIGHT: 355.33159
SMILES: C1=CC=C(C=C1)C2=C(C3=C(O2)C=CC(=C3)CS(=O)(=O)C(F)(F)F)N
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Product OPENEYE NAME: 1H-diazepine-4-carboxylic acid
CAS Name: 1H-diazepine-4-carboxylic acid
IUPAC NAME: 1H-diazepine-4-carboxylic acid
SYSTEMATIC NAME: 1H-1,2-diazepine-4-carboxylic acid
MOLECULAR FORMULA: C6H6N2O2
MOLECULAR WEIGHT: 138.12404
SMILES: C1=CNN=CC(=C1)C(=O)O
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Product OPENEYE NAME: 6-[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]benzofuran-5-yl]-3,5-dimethyl-2-propyl-pyrimidin-4-one
CAS Name: 6-[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]-5-benzofuranyl]-3,5-dimethyl-2-propyl-4-pyrimidinone
IUPAC NAME: 6-[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]-3,5-dimethyl-2-propylpyrimidin-4-one
SYSTEMATIC NAME: 6-[3-bromanyl-2-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]-3,5-dimethyl-2-propyl-pyrimidin-4-one
MOLECULAR FORMULA: C24H21BrN6O2
MOLECULAR WEIGHT: 505.36654
SMILES: CCCC1=NC(=C(C(=O)N1C)C)C2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C5=NNN=N5
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Product OPENEYE NAME: (2-ethyl-3,5-dimethyl-imidazol-4-yl) 2-[[3-(2-phenylbenzofuran-5-yl)-2-thienyl]methyl]prop-2-enoate
CAS Name: 2-[[3-(2-phenyl-5-benzofuranyl)-2-thiophenyl]methyl]-2-propenoic acid (2-ethyl-3,5-dimethyl-4-imidazolyl) ester
IUPAC NAME: (2-ethyl-3,5-dimethylimidazol-4-yl) 2-[[3-(2-phenyl-1-benzofuran-5-yl)thiophen-2-yl]methyl]prop-2-enoate
SYSTEMATIC NAME: (2-ethyl-3,5-dimethyl-imidazol-4-yl) 2-[[3-(2-phenyl-1-benzofuran-5-yl)thiophen-2-yl]methyl]prop-2-enoate
MOLECULAR FORMULA: C29H26N2O3S
MOLECULAR WEIGHT: 482.59334
SMILES: CCC1=NC(=C(N1C)OC(=O)C(=C)CC2=C(C=CS2)C3=CC4=C(C=C3)OC(=C4)C5=CC=CC=C5)C
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Product OPENEYE NAME: 5-[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]benzofuran-5-yl]-3-methyl-6-oxo-2-propyl-pyrimidine-4-carboxylic acid
CAS Name: 5-[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]-5-benzofuranyl]-3-methyl-6-oxo-2-propyl-4-pyrimidinecarboxylic acid
IUPAC NAME: 5-[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]-3-methyl-6-oxo-2-propylpyrimidine-4-carboxylic acid
SYSTEMATIC NAME: 5-[3-bromanyl-2-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]-3-methyl-6-oxidanylidene-2-propyl-pyrimidine-4-carboxylic acid
MOLECULAR FORMULA: C24H19BrN6O4
MOLECULAR WEIGHT: 535.34946
SMILES: CCCC1=NC(=O)C(=C(N1C)C(=O)O)C2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C5=NNN=N5
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Product OPENEYE NAME: N-ethyl-4-oxo-2-propyl-1H-pyrimidine-6-carboxamide
CAS Name: N-ethyl-4-oxo-2-propyl-1H-pyrimidine-6-carboxamide
IUPAC NAME: N-ethyl-4-oxo-2-propyl-1H-pyrimidine-6-carboxamide
SYSTEMATIC NAME: N-ethyl-4-oxidanylidene-2-propyl-1H-pyrimidine-6-carboxamide
MOLECULAR FORMULA: C10H15N3O2
MOLECULAR WEIGHT: 209.245
SMILES: CCCC1=NC(=O)C=C(N1)C(=O)NCC
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Product OPENEYE NAME: (3,5-dimethyl-2-propyl-imidazol-4-yl) 2-[[3-(3-amino-2-phenyl-benzofuran-5-yl)-4-(trifluoromethylsulfonyl)-2-thienyl]methyl]prop-2-enoate
CAS Name: 2-[[3-(3-amino-2-phenyl-5-benzofuranyl)-4-(trifluoromethylsulfonyl)-2-thiophenyl]methyl]-2-propenoic acid (3,5-dimethyl-2-propyl-4-imidazolyl) ester
IUPAC NAME: (3,5-dimethyl-2-propylimidazol-4-yl) 2-[[3-(3-amino-2-phenyl-1-benzofuran-5-yl)-4-(trifluoromethylsulfonyl)thiophen-2-yl]methyl]prop-2-enoate
SYSTEMATIC NAME: (3,5-dimethyl-2-propyl-imidazol-4-yl) 2-[[3-(3-azanyl-2-phenyl-1-benzofuran-5-yl)-4-(trifluoromethylsulfonyl)thiophen-2-yl]methyl]prop-2-enoate
MOLECULAR FORMULA: C31H28F3N3O5S2
MOLECULAR WEIGHT: 643.69633
SMILES: CCCC1=NC(=C(N1C)OC(=O)C(=C)CC2=C(C(=CS2)S(=O)(=O)C(F)(F)F)C3=CC4=C(C=C3)OC(=C4N)C5=CC=CC=C5)C
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Product OPENEYE NAME: 3-bromo-5-(bromomethyl)-2-cyclohexa-1,3-dien-1-yl-benzofuran
CAS Name: 3-bromo-5-(bromomethyl)-2-(1-cyclohexa-1,3-dienyl)benzofuran
IUPAC NAME: 3-bromo-5-(bromomethyl)-2-cyclohexa-1,3-dien-1-yl-1-benzofuran
SYSTEMATIC NAME: 3-bromanyl-5-(bromomethyl)-2-cyclohexa-1,3-dien-1-yl-1-benzofuran
MOLECULAR FORMULA: C15H12Br2O
MOLECULAR WEIGHT: 368.06318
SMILES: C1CC(=CC=C1)C2=C(C3=C(O2)C=CC(=C3)CBr)Br
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Product OPENEYE NAME: N-(3-amino-2-phenyl-benzofuran-5-yl)-2-ethyl-N-methyl-6-oxo-3-(trifluoromethylsulfonyl)pyrimidine-4-carboxamide
CAS Name: N-(3-amino-2-phenyl-5-benzofuranyl)-2-ethyl-N-methyl-6-oxo-3-(trifluoromethylsulfonyl)-4-pyrimidinecarboxamide
IUPAC NAME: N-(3-amino-2-phenyl-1-benzofuran-5-yl)-2-ethyl-N-methyl-6-oxo-3-(trifluoromethylsulfonyl)pyrimidine-4-carboxamide
SYSTEMATIC NAME: N-(3-azanyl-2-phenyl-1-benzofuran-5-yl)-2-ethyl-N-methyl-6-oxidanylidene-3-(trifluoromethylsulfonyl)pyrimidine-4-carboxamide
MOLECULAR FORMULA: C23H19F3N4O5S
MOLECULAR WEIGHT: 520.48097
SMILES: CCC1=NC(=O)C=C(N1S(=O)(=O)C(F)(F)F)C(=O)N(C)C2=CC3=C(C=C2)OC(=C3N)C4=CC=CC=C4
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Product OPENEYE NAME: 3-[4-(3-amino-2-phenyl-benzofuran-5-yl)-3-(5-chloro-3-methyl-2-propyl-imidazol-4-yl)-5-(trifluoromethylsulfonyl)-2-thienyl]propanoyl-ethyl-methylene-ammonium
CAS Name: [3-[4-(3-amino-2-phenyl-5-benzofuranyl)-3-(5-chloro-3-methyl-2-propyl-4-imidazolyl)-5-(trifluoromethylsulfonyl)-2-thiophenyl]-1-oxopropyl]-ethyl-methyleneammonium
IUPAC NAME: 3-[4-(3-amino-2-phenyl-1-benzofuran-5-yl)-3-(5-chloro-3-methyl-2-propylimidazol-4-yl)-5-(trifluoromethylsulfonyl)thiophen-2-yl]propanoyl-ethyl-methylideneazanium
SYSTEMATIC NAME: 3-[4-(3-azanyl-2-phenyl-1-benzofuran-5-yl)-3-(5-chloranyl-3-methyl-2-propyl-imidazol-4-yl)-5-(trifluoromethylsulfonyl)thiophen-2-yl]propanoyl-ethyl-methylidene-azanium
MOLECULAR FORMULA: C32H31ClF3N4O4S2+
MOLECULAR WEIGHT: 692.19115
SMILES: CCCC1=NC(=C(N1C)C2=C(SC(=C2C3=CC4=C(C=C3)OC(=C4N)C5=CC=CC=C5)S(=O)(=O)C(F)(F)F)CCC(=O)[N+](=C)CC)Cl
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Product OPENEYE NAME: (2-ethyl-5-methyl-1H-imidazol-4-yl) 2-[[3-(3-amino-2-phenyl-benzofuran-5-yl)-4-(trifluoromethylsulfonyl)-2-thienyl]methyl]prop-2-enoate
CAS Name: 2-[[3-(3-amino-2-phenyl-5-benzofuranyl)-4-(trifluoromethylsulfonyl)-2-thiophenyl]methyl]-2-propenoic acid (2-ethyl-5-methyl-1H-imidazol-4-yl) ester
IUPAC NAME: (2-ethyl-5-methyl-1H-imidazol-4-yl) 2-[[3-(3-amino-2-phenyl-1-benzofuran-5-yl)-4-(trifluoromethylsulfonyl)thiophen-2-yl]methyl]prop-2-enoate
SYSTEMATIC NAME: (2-ethyl-5-methyl-1H-imidazol-4-yl) 2-[[3-(3-azanyl-2-phenyl-1-benzofuran-5-yl)-4-(trifluoromethylsulfonyl)thiophen-2-yl]methyl]prop-2-enoate
MOLECULAR FORMULA: C29H24F3N3O5S2
MOLECULAR WEIGHT: 615.64317
SMILES: CCC1=NC(=C(N1)C)OC(=O)C(=C)CC2=C(C(=CS2)S(=O)(=O)C(F)(F)F)C3=CC4=C(C=C3)OC(=C4N)C5=CC=CC=C5
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Product OPENEYE NAME: 5-(3-amino-2-phenyl-benzofuran-5-yl)-3-methyl-2-propyl-6-(trifluoromethylsulfonyl)pyrimidin-4-one
CAS Name: 5-(3-amino-2-phenyl-5-benzofuranyl)-3-methyl-2-propyl-6-(trifluoromethylsulfonyl)-4-pyrimidinone
IUPAC NAME: 5-(3-amino-2-phenyl-1-benzofuran-5-yl)-3-methyl-2-propyl-6-(trifluoromethylsulfonyl)pyrimidin-4-one
SYSTEMATIC NAME: 5-(3-azanyl-2-phenyl-1-benzofuran-5-yl)-3-methyl-2-propyl-6-(trifluoromethylsulfonyl)pyrimidin-4-one
MOLECULAR FORMULA: C23H20F3N3O4S
MOLECULAR WEIGHT: 491.48281
SMILES: CCCC1=NC(=C(C(=O)N1C)C2=CC3=C(C=C2)OC(=C3N)C4=CC=CC=C4)S(=O)(=O)C(F)(F)F
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Product OPENEYE NAME: (5-chloro-3-methyl-2-propyl-imidazol-4-yl) 2-[[3-(3-amino-2-phenyl-benzofuran-5-yl)-4-(trifluoromethylsulfonyl)-2-thienyl]methyl]prop-2-enoate
CAS Name: 2-[[3-(3-amino-2-phenyl-5-benzofuranyl)-4-(trifluoromethylsulfonyl)-2-thiophenyl]methyl]-2-propenoic acid (5-chloro-3-methyl-2-propyl-4-imidazolyl) ester
IUPAC NAME: (5-chloro-3-methyl-2-propylimidazol-4-yl) 2-[[3-(3-amino-2-phenyl-1-benzofuran-5-yl)-4-(trifluoromethylsulfonyl)thiophen-2-yl]methyl]prop-2-enoate
SYSTEMATIC NAME: (5-chloranyl-3-methyl-2-propyl-imidazol-4-yl) 2-[[3-(3-azanyl-2-phenyl-1-benzofuran-5-yl)-4-(trifluoromethylsulfonyl)thiophen-2-yl]methyl]prop-2-enoate
MOLECULAR FORMULA: C30H25ClF3N3O5S2
MOLECULAR WEIGHT: 664.11481
SMILES: CCCC1=NC(=C(N1C)OC(=O)C(=C)CC2=C(C(=CS2)S(=O)(=O)C(F)(F)F)C3=CC4=C(C=C3)OC(=C4N)C5=CC=CC=C5)Cl
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