Thursday, July 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME: methyl (2S,3S,4S,5R,6S)-3,4,5-triacetoxy-6-[(5-carbamoyl-1H-imidazol-4-yl)oxy]tetrahydropyran-2-carboxylate
CAS Name: (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(5-carbamoyl-1H-imidazol-4-yl)oxy]-2-oxanecarboxylic acid methyl ester
IUPAC NAME: methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(5-carbamoyl-1H-imidazol-4-yl)oxy]oxane-2-carboxylate
SYSTEMATIC NAME: methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(5-aminocarbonyl-1H-imidazol-4-yl)oxy]oxane-2-carboxylate
MOLECULAR FORMULA: C17H21N3O11
MOLECULAR WEIGHT: 443.36214
SMILES: CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)OC2=C(NC=N2)C(=O)N)C(=O)OC)OC(=O)C
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Product OPENEYE NAME: [(2R,3R,4R)-3,4-diacetoxy-5-(trifluoromethylsulfonyloxy)tetrahydrofuran-2-yl]methyl acetate
CAS Name: acetic acid [(2R,3R,4R)-3,4-diacetyloxy-5-(trifluoromethylsulfonyloxy)-2-oxolanyl]methyl ester
IUPAC NAME: [(2R,3R,4R)-3,4-diacetyloxy-5-(trifluoromethylsulfonyloxy)oxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3R,4R)-3,4-diacetyloxy-5-(trifluoromethylsulfonyloxy)oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C12H15F3O10S
MOLECULAR WEIGHT: 408.30171
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H](C(O1)OS(=O)(=O)C(F)(F)F)OC(=O)C)OC(=O)C
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Product OPENEYE NAME: methyl (2S,3S,4S,5R)-3,4,5-triacetoxy-6-(trifluoromethylsulfonyloxy)tetrahydropyran-2-carboxylate
CAS Name: (2S,3S,4S,5R)-3,4,5-triacetyloxy-6-(trifluoromethylsulfonyloxy)-2-oxanecarboxylic acid methyl ester
IUPAC NAME: methyl (2S,3S,4S,5R)-3,4,5-triacetyloxy-6-(trifluoromethylsulfonyloxy)oxane-2-carboxylate
SYSTEMATIC NAME: methyl (2S,3S,4S,5R)-3,4,5-triacetyloxy-6-(trifluoromethylsulfonyloxy)oxane-2-carboxylate
MOLECULAR FORMULA: C14H17F3O12S
MOLECULAR WEIGHT: 466.33779
SMILES: CC(=O)O[C@H]1[C@@H]([C@H](OC([C@@H]1OC(=O)C)OS(=O)(=O)C(F)(F)F)C(=O)OC)OC(=O)C
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Product OPENEYE NAME: [(2R,3R,4S,5R)-3,4,5-triacetoxy-6-(trifluoromethylsulfonyloxy)tetrahydropyran-2-yl]methyl acetate
CAS Name: acetic acid [(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-(trifluoromethylsulfonyloxy)-2-oxanyl]methyl ester
IUPAC NAME: [(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-(trifluoromethylsulfonyloxy)oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-(trifluoromethylsulfonyloxy)oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C15H19F3O12S
MOLECULAR WEIGHT: 480.36437
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)OS(=O)(=O)C(F)(F)F)OC(=O)C)OC(=O)C)OC(=O)C
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Product OPENEYE NAME: [(2R,3S,4S,5R)-3,4,5-triacetoxy-6-(trifluoromethylsulfonyloxy)tetrahydropyran-2-yl]methyl acetate
CAS Name: acetic acid [(2R,3S,4S,5R)-3,4,5-triacetyloxy-6-(trifluoromethylsulfonyloxy)-2-oxanyl]methyl ester
IUPAC NAME: [(2R,3S,4S,5R)-3,4,5-triacetyloxy-6-(trifluoromethylsulfonyloxy)oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3S,4S,5R)-3,4,5-triacetyloxy-6-(trifluoromethylsulfonyloxy)oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C15H19F3O12S
MOLECULAR WEIGHT: 480.36437
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H](C(O1)OS(=O)(=O)C(F)(F)F)OC(=O)C)OC(=O)C)OC(=O)C
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Product OPENEYE NAME: 3,4-dibromo-2,5-bis(4-chlorophenyl)furan
CAS Name: 3,4-dibromo-2,5-bis(4-chlorophenyl)furan
IUPAC NAME: 3,4-dibromo-2,5-bis(4-chlorophenyl)furan
SYSTEMATIC NAME: 3,4-bis(bromanyl)-2,5-bis(4-chlorophenyl)furan
MOLECULAR FORMULA: C16H8Br2Cl2O
MOLECULAR WEIGHT: 446.94812
SMILES: C1=CC(=CC=C1C2=C(C(=C(O2)C3=CC=C(C=C3)Cl)Br)Br)Cl
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Product OPENEYE NAME: 3,4-dibromo-2,5-bis(4-bromophenyl)furan
CAS Name: 3,4-dibromo-2,5-bis(4-bromophenyl)furan
IUPAC NAME: 3,4-dibromo-2,5-bis(4-bromophenyl)furan
SYSTEMATIC NAME: 3,4-bis(bromanyl)-2,5-bis(4-bromophenyl)furan
MOLECULAR FORMULA: C16H8Br4O
MOLECULAR WEIGHT: 535.85012
SMILES: C1=CC(=CC=C1C2=C(C(=C(O2)C3=CC=C(C=C3)Br)Br)Br)Br
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Product OPENEYE NAME: 3,4-dimethyl-2,5-bis(p-tolyl)furan
CAS Name: 3,4-dimethyl-2,5-bis(4-methylphenyl)furan
IUPAC NAME: 3,4-dimethyl-2,5-bis(4-methylphenyl)furan
SYSTEMATIC NAME: 3,4-dimethyl-2,5-bis(4-methylphenyl)furan
MOLECULAR FORMULA: C20H20O
MOLECULAR WEIGHT: 276.3722
SMILES: CC1=CC=C(C=C1)C2=C(C(=C(O2)C3=CC=C(C=C3)C)C)C
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Product OPENEYE NAME: 2,5-bis(4-chlorophenyl)-3,4-dimethyl-furan
CAS Name: 2,5-bis(4-chlorophenyl)-3,4-dimethylfuran
IUPAC NAME: 2,5-bis(4-chlorophenyl)-3,4-dimethylfuran
SYSTEMATIC NAME: 2,5-bis(4-chlorophenyl)-3,4-dimethyl-furan
MOLECULAR FORMULA: C18H14Cl2O
MOLECULAR WEIGHT: 317.20916
SMILES: CC1=C(OC(=C1C)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 3,4-bis(bromomethyl)-2,5-bis(p-tolyl)furan
CAS Name: 3,4-bis(bromomethyl)-2,5-bis(4-methylphenyl)furan
IUPAC NAME: 3,4-bis(bromomethyl)-2,5-bis(4-methylphenyl)furan
SYSTEMATIC NAME: 3,4-bis(bromomethyl)-2,5-bis(4-methylphenyl)furan
MOLECULAR FORMULA: C20H18Br2O
MOLECULAR WEIGHT: 434.16432
SMILES: CC1=CC=C(C=C1)C2=C(C(=C(O2)C3=CC=C(C=C3)C)CBr)CBr
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Product OPENEYE NAME: 3,4-bis(bromomethyl)-2,5-bis(4-chlorophenyl)furan
CAS Name: 3,4-bis(bromomethyl)-2,5-bis(4-chlorophenyl)furan
IUPAC NAME: 3,4-bis(bromomethyl)-2,5-bis(4-chlorophenyl)furan
SYSTEMATIC NAME: 3,4-bis(bromomethyl)-2,5-bis(4-chlorophenyl)furan
MOLECULAR FORMULA: C18H12Br2Cl2O
MOLECULAR WEIGHT: 475.00128
SMILES: C1=CC(=CC=C1C2=C(C(=C(O2)C3=CC=C(C=C3)Cl)CBr)CBr)Cl
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Product OPENEYE NAME: 4-amino-8-benzyl-6,7-dimethyl-pteridin-2-one
CAS Name: 4-amino-6,7-dimethyl-8-(phenylmethyl)-2-pteridinone
IUPAC NAME: 4-amino-8-benzyl-6,7-dimethylpteridin-2-one
SYSTEMATIC NAME: 4-azanyl-6,7-dimethyl-8-(phenylmethyl)pteridin-2-one
MOLECULAR FORMULA: C15H15N5O
MOLECULAR WEIGHT: 281.3125
SMILES: CC1=C(N(C2=NC(=O)N=C(C2=N1)N)CC3=CC=CC=C3)C
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Product OPENEYE NAME: 1-[(2S,3R)-2-ethyl-5-hydroxy-3-methyl-2-morpholino-3H-benzofuran-4-yl]ethanone
CAS Name: 1-[(2S,3R)-2-ethyl-5-hydroxy-3-methyl-2-(4-morpholinyl)-3H-benzofuran-4-yl]ethanone
IUPAC NAME: 1-[(2S,3R)-2-ethyl-5-hydroxy-3-methyl-2-morpholin-4-yl-3H-1-benzofuran-4-yl]ethanone
SYSTEMATIC NAME: 1-[(2S,3R)-2-ethyl-3-methyl-2-morpholin-4-yl-5-oxidanyl-3H-1-benzofuran-4-yl]ethanone
MOLECULAR FORMULA: C17H23NO4
MOLECULAR WEIGHT: 305.36882
SMILES: CC[C@]1([C@@H](C2=C(O1)C=CC(=C2C(=O)C)O)C)N3CCOCC3
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Product OPENEYE NAME: 1-[(3aS,8bS)-7-hydroxy-3a-morpholino-1,2,3,8b-tetrahydrocyclopenta[b]benzofuran-8-yl]ethanone
CAS Name: 1-[(3aS,8bS)-7-hydroxy-3a-(4-morpholinyl)-1,2,3,8b-tetrahydrocyclopenta[b]benzofuran-8-yl]ethanone
IUPAC NAME: 1-[(3aS,8bS)-7-hydroxy-3a-morpholin-4-yl-1,2,3,8b-tetrahydrocyclopenta[b][1]benzofuran-8-yl]ethanone
SYSTEMATIC NAME: 1-[(3aS,8bS)-3a-morpholin-4-yl-7-oxidanyl-1,2,3,8b-tetrahydrocyclopenta[b][1]benzofuran-8-yl]ethanone
MOLECULAR FORMULA: C17H21NO4
MOLECULAR WEIGHT: 303.35294
SMILES: CC(=O)C1=C(C=CC2=C1[C@@H]3CCC[C@@]3(O2)N4CCOCC4)O
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Product OPENEYE NAME: 1-[(3aS,8bS)-7-hydroxy-3a-morpholino-1,2,3,8b-tetrahydrocyclopenta[b]benzofuran-8-yl]propan-1-one
CAS Name: 1-[(3aS,8bS)-7-hydroxy-3a-(4-morpholinyl)-1,2,3,8b-tetrahydrocyclopenta[b]benzofuran-8-yl]-1-propanone
IUPAC NAME: 1-[(3aS,8bS)-7-hydroxy-3a-morpholin-4-yl-1,2,3,8b-tetrahydrocyclopenta[b][1]benzofuran-8-yl]propan-1-one
SYSTEMATIC NAME: 1-[(3aS,8bS)-3a-morpholin-4-yl-7-oxidanyl-1,2,3,8b-tetrahydrocyclopenta[b][1]benzofuran-8-yl]propan-1-one
MOLECULAR FORMULA: C18H23NO4
MOLECULAR WEIGHT: 317.37952
SMILES: CCC(=O)C1=C(C=CC2=C1[C@@H]3CCC[C@@]3(O2)N4CCOCC4)O
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Product OPENEYE NAME: 1-[(5aS,9aR)-2-hydroxy-5a-morpholino-7,8,9,9a-tetrahydro-6H-dibenzofuran-1-yl]ethanone
CAS Name: 1-[(5aS,9aR)-2-hydroxy-5a-(4-morpholinyl)-7,8,9,9a-tetrahydro-6H-dibenzofuran-1-yl]ethanone
IUPAC NAME: 1-[(5aS,9aR)-2-hydroxy-5a-morpholin-4-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-1-yl]ethanone
SYSTEMATIC NAME: 1-[(5aS,9aR)-5a-morpholin-4-yl-2-oxidanyl-7,8,9,9a-tetrahydro-6H-dibenzofuran-1-yl]ethanone
MOLECULAR FORMULA: C18H23NO4
MOLECULAR WEIGHT: 317.37952
SMILES: CC(=O)C1=C(C=CC2=C1[C@H]3CCCC[C@@]3(O2)N4CCOCC4)O
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