Tuesday, May 28, 2013

All Chemical Compounds Information



Product OPENEYE NAME: (2R)-N2,N2,3-trimethyl-N1-[(7S)-7-methyl-2-(morpholinomethyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]butane-1,2-diamine
CAS Name: (2R)-N2,N2,3-trimethyl-N1-[(7S)-7-methyl-2-(4-morpholinylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]butane-1,2-diamine
IUPAC NAME: (2R)-2-N,2-N,3-trimethyl-1-N-[(7S)-7-methyl-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]butane-1,2-diamine
SYSTEMATIC NAME: (2R)-N2,N2,3-trimethyl-N1-[(7S)-7-methyl-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]butane-1,2-diamine
MOLECULAR FORMULA: C23H37N5OS
MOLECULAR WEIGHT: 431.63778
SMILES: C[C@H]1CCC2=C(C1)SC3=NC(=NC(=C23)NC[C@@H](C(C)C)N(C)C)CN4CCOCC4
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Product OPENEYE NAME: dimethyl-[(1S)-2-methyl-1-[[[(7R)-7-methyl-2-(morpholinomethyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]amino]methyl]propyl]ammonium
CAS Name: dimethyl-[(2S)-3-methyl-1-[[(7R)-7-methyl-2-(4-morpholinylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]butan-2-yl]ammonium
IUPAC NAME: dimethyl-[(2S)-3-methyl-1-[[(7R)-7-methyl-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]butan-2-yl]azanium
SYSTEMATIC NAME: dimethyl-[(2S)-3-methyl-1-[[(7R)-7-methyl-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]butan-2-yl]azanium
MOLECULAR FORMULA: C23H38N5OS+
MOLECULAR WEIGHT: 432.64572
SMILES: C[C@@H]1CCC2=C(C1)SC3=NC(=NC(=C23)NC[C@H](C(C)C)[NH+](C)C)CN4CCOCC4
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Product OPENEYE NAME: (2S)-N2,N2,3-trimethyl-N1-[(7R)-7-methyl-2-(morpholinomethyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]butane-1,2-diamine
CAS Name: (2S)-N2,N2,3-trimethyl-N1-[(7R)-7-methyl-2-(4-morpholinylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]butane-1,2-diamine
IUPAC NAME: (2S)-2-N,2-N,3-trimethyl-1-N-[(7R)-7-methyl-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]butane-1,2-diamine
SYSTEMATIC NAME: (2S)-N2,N2,3-trimethyl-N1-[(7R)-7-methyl-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]butane-1,2-diamine
MOLECULAR FORMULA: C23H37N5OS
MOLECULAR WEIGHT: 431.63778
SMILES: C[C@@H]1CCC2=C(C1)SC3=NC(=NC(=C23)NC[C@H](C(C)C)N(C)C)CN4CCOCC4
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Product OPENEYE NAME: dimethyl-[(1S)-2-methyl-1-[[[(7S)-7-methyl-2-(morpholinomethyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]amino]methyl]propyl]ammonium
CAS Name: dimethyl-[(2S)-3-methyl-1-[[(7S)-7-methyl-2-(4-morpholinylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]butan-2-yl]ammonium
IUPAC NAME: dimethyl-[(2S)-3-methyl-1-[[(7S)-7-methyl-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]butan-2-yl]azanium
SYSTEMATIC NAME: dimethyl-[(2S)-3-methyl-1-[[(7S)-7-methyl-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]butan-2-yl]azanium
MOLECULAR FORMULA: C23H38N5OS+
MOLECULAR WEIGHT: 432.64572
SMILES: C[C@H]1CCC2=C(C1)SC3=NC(=NC(=C23)NC[C@H](C(C)C)[NH+](C)C)CN4CCOCC4
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Product OPENEYE NAME: (2S)-N2,N2,3-trimethyl-N1-[(7S)-7-methyl-2-(morpholinomethyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]butane-1,2-diamine
CAS Name: (2S)-N2,N2,3-trimethyl-N1-[(7S)-7-methyl-2-(4-morpholinylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]butane-1,2-diamine
IUPAC NAME: (2S)-2-N,2-N,3-trimethyl-1-N-[(7S)-7-methyl-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]butane-1,2-diamine
SYSTEMATIC NAME: (2S)-N2,N2,3-trimethyl-N1-[(7S)-7-methyl-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]butane-1,2-diamine
MOLECULAR FORMULA: C23H37N5OS
MOLECULAR WEIGHT: 431.63778
SMILES: C[C@H]1CCC2=C(C1)SC3=NC(=NC(=C23)NC[C@H](C(C)C)N(C)C)CN4CCOCC4
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Product OPENEYE NAME: (3E)-3-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methylene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CAS Name: (3E)-3-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
IUPAC NAME: (3E)-3-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
SYSTEMATIC NAME: (3E)-3-[[3-fluoranyl-4-(1,2,4-triazol-1-yl)phenyl]methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
MOLECULAR FORMULA: C22H14FN4O2-
MOLECULAR WEIGHT: 385.370563
SMILES: C\1CC2=C(C3=CC=CC=C3N=C2/C1=C/C4=CC(=C(C=C4)N5C=NC=N5)F)C(=O)[O-]
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Product OPENEYE NAME: (3E)-3-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methylene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
CAS Name: (3E)-3-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
IUPAC NAME: (3E)-3-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
SYSTEMATIC NAME: (3E)-3-[[3-fluoranyl-4-(1,2,4-triazol-1-yl)phenyl]methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
MOLECULAR FORMULA: C22H15FN4O2
MOLECULAR WEIGHT: 386.378503
SMILES: C\1CC2=C(C3=CC=CC=C3N=C2/C1=C/C4=CC(=C(C=C4)N5C=NC=N5)F)C(=O)O
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Product OPENEYE NAME: isopropyl (6R)-3-benzyl-6-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CAS Name: (6R)-6-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-4-methyl-2-oxo-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester
IUPAC NAME: propan-2-yl (6R)-3-benzyl-6-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
SYSTEMATIC NAME: propan-2-yl (6R)-6-[3-fluoranyl-4-(1,2,4-triazol-1-yl)phenyl]-4-methyl-2-oxidanylidene-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylate
MOLECULAR FORMULA: C24H24FN5O3
MOLECULAR WEIGHT: 449.477463
SMILES: CC1=C([C@H](NC(=O)N1CC2=CC=CC=C2)C3=CC(=C(C=C3)N4C=NC=N4)F)C(=O)OC(C)C
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Product OPENEYE NAME: isopropyl (6S)-3-benzyl-6-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CAS Name: (6S)-6-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-4-methyl-2-oxo-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester
IUPAC NAME: propan-2-yl (6S)-3-benzyl-6-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
SYSTEMATIC NAME: propan-2-yl (6S)-6-[3-fluoranyl-4-(1,2,4-triazol-1-yl)phenyl]-4-methyl-2-oxidanylidene-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylate
MOLECULAR FORMULA: C24H24FN5O3
MOLECULAR WEIGHT: 449.477463
SMILES: CC1=C([C@@H](NC(=O)N1CC2=CC=CC=C2)C3=CC(=C(C=C3)N4C=NC=N4)F)C(=O)OC(C)C
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Product OPENEYE NAME: N-cyclohexyl-1-(2-fluorophenyl)-5-methyl-pyrazole-4-carboxamide
CAS Name: N-cyclohexyl-1-(2-fluorophenyl)-5-methyl-4-pyrazolecarboxamide
IUPAC NAME: N-cyclohexyl-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
SYSTEMATIC NAME: N-cyclohexyl-1-(2-fluorophenyl)-5-methyl-pyrazole-4-carboxamide
MOLECULAR FORMULA: C17H20FN3O
MOLECULAR WEIGHT: 301.358603
SMILES: CC1=C(C=NN1C2=CC=CC=C2F)C(=O)NC3CCCCC3
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Product OPENEYE NAME: [1-(2-fluorophenyl)-5-methyl-pyrazol-4-yl]-morpholino-methanone
CAS Name: [1-(2-fluorophenyl)-5-methyl-4-pyrazolyl]-(4-morpholinyl)methanone
IUPAC NAME: [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-morpholin-4-ylmethanone
SYSTEMATIC NAME: [1-(2-fluorophenyl)-5-methyl-pyrazol-4-yl]-morpholin-4-yl-methanone
MOLECULAR FORMULA: C15H16FN3O2
MOLECULAR WEIGHT: 289.304843
SMILES: CC1=C(C=NN1C2=CC=CC=C2F)C(=O)N3CCOCC3
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