Wednesday, November 30, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CAS Name: 2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-4-pyrimidinamine
IUPAC NAME: 2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
SYSTEMATIC NAME: 2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
MOLECULAR FORMULA: C20H15F6N3O2S
MOLECULAR WEIGHT: 475.407419
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)NCC3=CC=C(C=C3)C(F)(F)F)C(F)(F)F
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Product OPENEYE NAME: N-[(3,5-difluorophenyl)methyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CAS Name: N-[(3,5-difluorophenyl)methyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-4-pyrimidinamine
IUPAC NAME: N-[(3,5-difluorophenyl)methyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
SYSTEMATIC NAME: N-[[3,5-bis(fluoranyl)phenyl]methyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C19H14F5N3O2S
MOLECULAR WEIGHT: 443.390376
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)NCC3=CC(=CC(=C3)F)F)C(F)(F)F
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Product OPENEYE NAME: 4-[4-(4-pyridylmethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]benzenesulfonamide
CAS Name: 4-[4-(pyridin-4-ylmethylamino)-6-(trifluoromethyl)-2-pyrimidinyl]benzenesulfonamide
IUPAC NAME: 4-[4-(pyridin-4-ylmethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]benzenesulfonamide
SYSTEMATIC NAME: 4-[4-(pyridin-4-ylmethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]benzenesulfonamide
MOLECULAR FORMULA: C17H14F3N5O2S
MOLECULAR WEIGHT: 409.38557
SMILES: C1=CC(=CC=C1C2=NC(=CC(=N2)NCC3=CC=NC=C3)C(F)(F)F)S(=O)(=O)N
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Product OPENEYE NAME: 2-(4-methylsulfonylphenyl)-N-(3-pyridylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CAS Name: 2-(4-methylsulfonylphenyl)-N-(3-pyridinylmethyl)-6-(trifluoromethyl)-4-pyrimidinamine
IUPAC NAME: 2-(4-methylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
SYSTEMATIC NAME: 2-(4-methylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C18H15F3N4O2S
MOLECULAR WEIGHT: 408.39751
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)NCC3=CN=CC=C3)C(F)(F)F
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Product OPENEYE NAME: 4-[4-(3-pyridylmethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]benzenesulfonamide
CAS Name: 4-[4-(3-pyridinylmethylamino)-6-(trifluoromethyl)-2-pyrimidinyl]benzenesulfonamide
IUPAC NAME: 4-[4-(pyridin-3-ylmethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]benzenesulfonamide
SYSTEMATIC NAME: 4-[4-(pyridin-3-ylmethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]benzenesulfonamide
MOLECULAR FORMULA: C17H14F3N5O2S
MOLECULAR WEIGHT: 409.38557
SMILES: C1=CC(=CN=C1)CNC2=NC(=NC(=C2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)N
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Product OPENEYE NAME: 7-hydroxy-6,8-diiodo-4-methyl-chromen-2-one
CAS Name: 7-hydroxy-6,8-diiodo-4-methyl-1-benzopyran-2-one
IUPAC NAME: 7-hydroxy-6,8-diiodo-4-methylchromen-2-one
SYSTEMATIC NAME: 6,8-bis(iodanyl)-4-methyl-7-oxidanyl-chromen-2-one
MOLECULAR FORMULA: C10H6I2O3
MOLECULAR WEIGHT: 427.96178
SMILES: CC1=CC(=O)OC2=C(C(=C(C=C12)I)O)I
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Product OPENEYE NAME: 3-bromo-7-hydroxy-4-methyl-6-nitro-chromen-2-one
CAS Name: 3-bromo-7-hydroxy-4-methyl-6-nitro-1-benzopyran-2-one
IUPAC NAME: 3-bromo-7-hydroxy-4-methyl-6-nitrochromen-2-one
SYSTEMATIC NAME: 3-bromanyl-4-methyl-6-nitro-7-oxidanyl-chromen-2-one
MOLECULAR FORMULA: C10H6BrNO5
MOLECULAR WEIGHT: 300.06234
SMILES: CC1=C(C(=O)OC2=CC(=C(C=C12)[N+](=O)[O-])O)Br
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Product OPENEYE NAME: 3,6-dibromo-7,8-dihydroxy-4-methyl-chromen-2-one
CAS Name: 3,6-dibromo-7,8-dihydroxy-4-methyl-1-benzopyran-2-one
IUPAC NAME: 3,6-dibromo-7,8-dihydroxy-4-methylchromen-2-one
SYSTEMATIC NAME: 3,6-bis(bromanyl)-4-methyl-7,8-bis(oxidanyl)chromen-2-one
MOLECULAR FORMULA: C10H6Br2O4
MOLECULAR WEIGHT: 349.96024
SMILES: CC1=C(C(=O)OC2=C(C(=C(C=C12)Br)O)O)Br
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Product OPENEYE NAME: tert-butyl (2R,3S,4R)-4-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(hydroxymethyl)-3-phenyl-pyrrolidine-1-carboxylate
CAS Name: (2R,3S,4R)-4-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(hydroxymethyl)-3-phenyl-1-pyrrolidinecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl (2R,3S,4R)-4-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(hydroxymethyl)-3-phenylpyrrolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl (2R,3S,4R)-4-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(hydroxymethyl)-3-phenyl-pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C26H29F6NO4
MOLECULAR WEIGHT: 533.503179
SMILES: C[C@@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@H]2CN([C@H]([C@@H]2C3=CC=CC=C3)CO)C(=O)OC(C)(C)C
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Product OPENEYE NAME: tert-butyl (2S,3S,4R)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CAS Name: (2S,3S,4R)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)-2-(hydroxymethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl (2S,3S,4R)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl (2S,3S,4R)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C26H28F7NO4
MOLECULAR WEIGHT: 551.493642
SMILES: C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@H]2[C@@H](CN([C@H]2CO)C(=O)OC(C)(C)C)C3=CC=C(C=C3)F
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Product OPENEYE NAME: 2-[6-(cyclopentylamino)purin-9-yl]-N-methyl-cyclopent-3-ene-1-carboxamide
CAS Name: 2-[6-(cyclopentylamino)-9-purinyl]-N-methyl-1-cyclopent-3-enecarboxamide
IUPAC NAME: 2-[6-(cyclopentylamino)purin-9-yl]-N-methylcyclopent-3-ene-1-carboxamide
SYSTEMATIC NAME: 2-[6-(cyclopentylamino)purin-9-yl]-N-methyl-cyclopent-3-ene-1-carboxamide
MOLECULAR FORMULA: C17H22N6O
MOLECULAR WEIGHT: 326.39618
SMILES: CNC(=O)C1CC=CC1N2C=NC3=C2N=CN=C3NC4CCCC4
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Product OPENEYE NAME: 2-[6-(cyclopropylamino)purin-9-yl]-N-methyl-cyclopent-3-ene-1-carboxamide
CAS Name: 2-[6-(cyclopropylamino)-9-purinyl]-N-methyl-1-cyclopent-3-enecarboxamide
IUPAC NAME: 2-[6-(cyclopropylamino)purin-9-yl]-N-methylcyclopent-3-ene-1-carboxamide
SYSTEMATIC NAME: 2-[6-(cyclopropylamino)purin-9-yl]-N-methyl-cyclopent-3-ene-1-carboxamide
MOLECULAR FORMULA: C15H18N6O
MOLECULAR WEIGHT: 298.34302
SMILES: CNC(=O)C1CC=CC1N2C=NC3=C2N=CN=C3NC4CC4
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