Friday, September 30, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 5-fluoro-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-tetrahydrofuran-2-yl]pyrimidine-2,4-dione
CAS Name: 5-fluoro-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2-oxolanyl]pyrimidine-2,4-dione
IUPAC NAME: 5-fluoro-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-fluoranyl-1-[(2R,3R,4R,5R)-5-(hydroxymethyl)-3-methoxy-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C10H13FN2O6
MOLECULAR WEIGHT: 276.218423
SMILES: CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)CO)O
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Product OPENEYE NAME: 5-fluoro-1-[(2R,3R,4S,5R)-3-hydroxy-5-(hydroxymethyl)-4-methoxy-tetrahydrofuran-2-yl]pyrimidine-2,4-dione
CAS Name: 5-fluoro-1-[(2R,3R,4S,5R)-3-hydroxy-5-(hydroxymethyl)-4-methoxy-2-oxolanyl]pyrimidine-2,4-dione
IUPAC NAME: 5-fluoro-1-[(2R,3R,4S,5R)-3-hydroxy-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-fluoranyl-1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-4-methoxy-3-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C10H13FN2O6
MOLECULAR WEIGHT: 276.218423
SMILES: CO[C@@H]1[C@H](O[C@H]([C@@H]1O)N2C=C(C(=O)NC2=O)F)CO
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Product OPENEYE NAME: 4-amino-5-fluoro-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-tetrahydrofuran-2-yl]pyrimidin-2-one
CAS Name: 4-amino-5-fluoro-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2-oxolanyl]-2-pyrimidinone
IUPAC NAME: 4-amino-5-fluoro-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
SYSTEMATIC NAME: 4-azanyl-5-fluoranyl-1-[(2R,3R,4R,5R)-5-(hydroxymethyl)-3-methoxy-4-oxidanyl-oxolan-2-yl]pyrimidin-2-one
MOLECULAR FORMULA: C10H14FN3O5
MOLECULAR WEIGHT: 275.233663
SMILES: CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)F)CO)O
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Product OPENEYE NAME: 4-amino-5-fluoro-1-[(2R,3R,4S,5R)-3-hydroxy-5-(hydroxymethyl)-4-methoxy-tetrahydrofuran-2-yl]pyrimidin-2-one
CAS Name: 4-amino-5-fluoro-1-[(2R,3R,4S,5R)-3-hydroxy-5-(hydroxymethyl)-4-methoxy-2-oxolanyl]-2-pyrimidinone
IUPAC NAME: 4-amino-5-fluoro-1-[(2R,3R,4S,5R)-3-hydroxy-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]pyrimidin-2-one
SYSTEMATIC NAME: 4-azanyl-5-fluoranyl-1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-4-methoxy-3-oxidanyl-oxolan-2-yl]pyrimidin-2-one
MOLECULAR FORMULA: C10H14FN3O5
MOLECULAR WEIGHT: 275.233663
SMILES: CO[C@@H]1[C@H](O[C@H]([C@@H]1O)N2C=C(C(=NC2=O)N)F)CO
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Product OPENEYE NAME: 1-[(2S,3S)-2,3-difluoroindolin-1-yl]ethanone
CAS Name: 1-[(2S,3S)-2,3-difluoro-2,3-dihydroindol-1-yl]ethanone
IUPAC NAME: 1-[(2S,3S)-2,3-difluoro-2,3-dihydroindol-1-yl]ethanone
SYSTEMATIC NAME: 1-[(2S,3S)-2,3-bis(fluoranyl)-2,3-dihydroindol-1-yl]ethanone
MOLECULAR FORMULA: C10H9F2NO
MOLECULAR WEIGHT: 197.181366
SMILES: CC(=O)N1[C@H]([C@H](C2=CC=CC=C21)F)F
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Product OPENEYE NAME: 3-chloro-4-(3-chloro-2,5,6-trifluoro-4-pyridyl)-2,5,6-trifluoro-pyridine
CAS Name: 3-chloro-4-(3-chloro-2,5,6-trifluoro-4-pyridinyl)-2,5,6-trifluoropyridine
IUPAC NAME: 3-chloro-4-(3-chloro-2,5,6-trifluoropyridin-4-yl)-2,5,6-trifluoropyridine
SYSTEMATIC NAME: 3-chloranyl-4-[3-chloranyl-2,5,6-tris(fluoranyl)pyridin-4-yl]-2,5,6-tris(fluoranyl)pyridine
MOLECULAR FORMULA: C10Cl2F6N2
MOLECULAR WEIGHT: 333.016819
SMILES: C1(=C(C(=NC(=C1Cl)F)F)F)C2=C(C(=NC(=C2Cl)F)F)F
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Product OPENEYE NAME: 5-fluoro-1-[(2R,3R,4R,5R)-5-(hydroxymethyl)-3,4-dimethoxy-tetrahydrofuran-2-yl]pyrimidine-2,4-dione
CAS Name: 5-fluoro-1-[(2R,3R,4R,5R)-5-(hydroxymethyl)-3,4-dimethoxy-2-oxolanyl]pyrimidine-2,4-dione
IUPAC NAME: 5-fluoro-1-[(2R,3R,4R,5R)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-fluoranyl-1-[(2R,3R,4R,5R)-5-(hydroxymethyl)-3,4-dimethoxy-oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C11H15FN2O6
MOLECULAR WEIGHT: 290.245003
SMILES: CO[C@@H]1[C@H](O[C@H]([C@@H]1OC)N2C=C(C(=O)NC2=O)F)CO
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Product OPENEYE NAME: 4-amino-5-fluoro-1-[(2R,3R,4R,5R)-5-(hydroxymethyl)-3,4-dimethoxy-tetrahydrofuran-2-yl]pyrimidin-2-one
CAS Name: 4-amino-5-fluoro-1-[(2R,3R,4R,5R)-5-(hydroxymethyl)-3,4-dimethoxy-2-oxolanyl]-2-pyrimidinone
IUPAC NAME: 4-amino-5-fluoro-1-[(2R,3R,4R,5R)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-yl]pyrimidin-2-one
SYSTEMATIC NAME: 4-azanyl-5-fluoranyl-1-[(2R,3R,4R,5R)-5-(hydroxymethyl)-3,4-dimethoxy-oxolan-2-yl]pyrimidin-2-one
MOLECULAR FORMULA: C11H16FN3O5
MOLECULAR WEIGHT: 289.260243
SMILES: CO[C@@H]1[C@H](O[C@H]([C@@H]1OC)N2C=C(C(=NC2=O)N)F)CO
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Product OPENEYE NAME: (3,3,4,4,5,5,6,6-octafluoro-2-pyridyl)-(2,3,4,5,6-pentachlorophenyl)methanone
CAS Name: (3,3,4,4,5,5,6,6-octafluoro-2-pyridinyl)-(2,3,4,5,6-pentachlorophenyl)methanone
IUPAC NAME: (3,3,4,4,5,5,6,6-octafluoropyridin-2-yl)-(2,3,4,5,6-pentachlorophenyl)methanone
SYSTEMATIC NAME: [3,3,4,4,5,5,6,6-octakis(fluoranyl)pyridin-2-yl]-[2,3,4,5,6-pentakis(chloranyl)phenyl]methanone
MOLECULAR FORMULA: C12Cl5F8NO
MOLECULAR WEIGHT: 503.386726
SMILES: C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C(=O)C2=NC(C(C(C2(F)F)(F)F)(F)F)(F)F
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Product OPENEYE NAME: 2,2-bis(2,3,5,6-tetrafluoro-4-pyridyl)ethenylideneazanide
CAS Name: 2,2-bis(2,3,5,6-tetrafluoro-4-pyridinyl)ethenylideneazanide
IUPAC NAME: 2,2-bis(2,3,5,6-tetrafluoropyridin-4-yl)ethenylideneazanide
SYSTEMATIC NAME: 2,2-bis[2,3,5,6-tetrakis(fluoranyl)pyridin-4-yl]ethenylideneazanide
MOLECULAR FORMULA: C12F8N3-
MOLECULAR WEIGHT: 338.135726
SMILES: C(=C(C1=C(C(=NC(=C1F)F)F)F)C2=C(C(=NC(=C2F)F)F)F)=[N-]
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Product OPENEYE NAME: 2,2-bis(2,3,5,6-tetrafluoro-4-pyridyl)ethenimine
CAS Name: 2,2-bis(2,3,5,6-tetrafluoro-4-pyridinyl)ethenimine
IUPAC NAME: 2,2-bis(2,3,5,6-tetrafluoropyridin-4-yl)ethenimine
SYSTEMATIC NAME: 2,2-bis[2,3,5,6-tetrakis(fluoranyl)pyridin-4-yl]ethenimine
MOLECULAR FORMULA: C12HF8N3
MOLECULAR WEIGHT: 339.143666
SMILES: C(=C(C1=C(C(=NC(=C1F)F)F)F)C2=C(C(=NC(=C2F)F)F)F)=N
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Product OPENEYE NAME: (Z)-1-phenyl-2-(2,3,5,6-tetrafluoro-4-pyridyl)ethenolate
CAS Name: (Z)-1-phenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethenolate
IUPAC NAME: (Z)-1-phenyl-2-(2,3,5,6-tetrafluoropyridin-4-yl)ethenolate
SYSTEMATIC NAME: (Z)-1-phenyl-2-[2,3,5,6-tetrakis(fluoranyl)pyridin-4-yl]ethenolate
MOLECULAR FORMULA: C13H6F4NO-
MOLECULAR WEIGHT: 268.186453
SMILES: C1=CC=C(C=C1)/C(=C/C2=C(C(=NC(=C2F)F)F)F)/[O-]
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Product OPENEYE NAME: 1-phenyl-2-(2,3,5,6-tetrafluoro-1H-pyridin-4-ylidene)ethanone
CAS Name: 1-phenyl-2-(2,3,5,6-tetrafluoro-1H-pyridin-4-ylidene)ethanone
IUPAC NAME: 1-phenyl-2-(2,3,5,6-tetrafluoro-1H-pyridin-4-ylidene)ethanone
SYSTEMATIC NAME: 1-phenyl-2-[2,3,5,6-tetrakis(fluoranyl)-1H-pyridin-4-ylidene]ethanone
MOLECULAR FORMULA: C13H7F4NO
MOLECULAR WEIGHT: 269.194393
SMILES: C1=CC=C(C=C1)C(=O)C=C2C(=C(NC(=C2F)F)F)F
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Product OPENEYE NAME: 1-phenyl-2-(2,3,5,6-tetrafluoro-4-pyridyl)ethanone
CAS Name: 1-phenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanone
IUPAC NAME: 1-phenyl-2-(2,3,5,6-tetrafluoropyridin-4-yl)ethanone
SYSTEMATIC NAME: 1-phenyl-2-[2,3,5,6-tetrakis(fluoranyl)pyridin-4-yl]ethanone
MOLECULAR FORMULA: C13H7F4NO
MOLECULAR WEIGHT: 269.194393
SMILES: C1=CC=C(C=C1)C(=O)CC2=C(C(=NC(=C2F)F)F)F
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Product OPENEYE NAME: (Z)-1-(2,3,4,5,6-pentafluorophenyl)-2-(2,3,5,6-tetrafluoro-4-pyridyl)ethenolate
CAS Name: (Z)-1-(2,3,4,5,6-pentafluorophenyl)-2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethenolate
IUPAC NAME: (Z)-1-(2,3,4,5,6-pentafluorophenyl)-2-(2,3,5,6-tetrafluoropyridin-4-yl)ethenolate
SYSTEMATIC NAME: (Z)-1-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-2-[2,3,5,6-tetrakis(fluoranyl)pyridin-4-yl]ethenolate
MOLECULAR FORMULA: C13HF9NO-
MOLECULAR WEIGHT: 358.138769
SMILES: C(=C(/C1=C(C(=C(C(=C1F)F)F)F)F)\[O-])\C2=C(C(=NC(=C2F)F)F)F
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Product OPENEYE NAME: 1-(2,3,4,5,6-pentafluorophenyl)-2-(2,3,5,6-tetrafluoro-1H-pyridin-4-ylidene)ethanone
CAS Name: 1-(2,3,4,5,6-pentafluorophenyl)-2-(2,3,5,6-tetrafluoro-1H-pyridin-4-ylidene)ethanone
IUPAC NAME: 1-(2,3,4,5,6-pentafluorophenyl)-2-(2,3,5,6-tetrafluoro-1H-pyridin-4-ylidene)ethanone
SYSTEMATIC NAME: 1-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-2-[2,3,5,6-tetrakis(fluoranyl)-1H-pyridin-4-ylidene]ethanone
MOLECULAR FORMULA: C13H2F9NO
MOLECULAR WEIGHT: 359.146709
SMILES: C(=C1C(=C(NC(=C1F)F)F)F)C(=O)C2=C(C(=C(C(=C2F)F)F)F)F
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Product OPENEYE NAME: [2-[2-[[1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl]-4-fluoro-pyrrolidin-1-yl]-2-oxo-ethyl]ammonium
CAS Name: [2-[2-[[[1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-oxomethyl]-4-fluoro-1-pyrrolidinyl]-2-oxoethyl]ammonium
IUPAC NAME: [2-[2-[[1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]azanium
SYSTEMATIC NAME: [2-[4-fluoranyl-2-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]azanium
MOLECULAR FORMULA: C18H22FN4O4+
MOLECULAR WEIGHT: 377.390083
SMILES: C1C(CN(C1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)C(=O)C[NH3+])F
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