Friday, June 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 7-(4-bromophenyl)-1-[(2R,3R,4R,5R)-3,4-dibenzyloxy-5-(benzyloxymethyl)tetrahydrofuran-2-yl]thieno[3,2-d]pyrimidine-2,4-dione
CAS Name: 1-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-2-oxolanyl]-7-(4-bromophenyl)thieno[3,2-d]pyrimidine-2,4-dione
IUPAC NAME: 1-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-7-(4-bromophenyl)thieno[3,2-d]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-7-(4-bromophenyl)thieno[3,2-d]pyrimidine-2,4-dione
MOLECULAR FORMULA: C38H33BrN2O6S
MOLECULAR WEIGHT: 725.64742
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=C(C(=O)NC3=O)SC=C4C5=CC=C(C=C5)Br)OCC6=CC=CC=C6)OCC7=CC=CC=C7
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Product OPENEYE NAME: 3-(2-phenylethyl)-3-azabicyclo[3.2.1]octan-8-one
CAS Name: 3-(2-phenylethyl)-3-azabicyclo[3.2.1]octan-8-one
IUPAC NAME: 3-(2-phenylethyl)-3-azabicyclo[3.2.1]octan-8-one
SYSTEMATIC NAME: 3-(2-phenylethyl)-3-azabicyclo[3.2.1]octan-8-one
MOLECULAR FORMULA: C15H19NO
MOLECULAR WEIGHT: 229.31746
SMILES: C1CC2CN(CC1C2=O)CCC3=CC=CC=C3
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Product OPENEYE NAME: N-[(Z)-benzylideneamino]-N-methyl-carbamoyl chloride
CAS Name: N-methyl-N-[(Z)-(phenylmethylene)amino]carbamoyl chloride
IUPAC NAME: N-[(Z)-benzylideneamino]-N-methylcarbamoyl chloride
SYSTEMATIC NAME: N-methyl-N-[(Z)-(phenylmethylidene)amino]carbamoyl chloride
MOLECULAR FORMULA: C9H9ClN2O
MOLECULAR WEIGHT: 196.63356
SMILES: CN(C(=O)Cl)/N=C\C1=CC=CC=C1
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Product OPENEYE NAME: 3-amino-1-[(Z)-benzylideneamino]-1-phenyl-urea
CAS Name: 3-amino-1-phenyl-1-[(Z)-(phenylmethylene)amino]urea
IUPAC NAME: 3-amino-1-[(Z)-benzylideneamino]-1-phenylurea
SYSTEMATIC NAME: 3-azanyl-1-phenyl-1-[(Z)-(phenylmethylidene)amino]urea
MOLECULAR FORMULA: C14H14N4O
MOLECULAR WEIGHT: 254.28716
SMILES: C1=CC=C(C=C1)/C=N\N(C2=CC=CC=C2)C(=O)NN
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Product OPENEYE NAME: 1-[(E)-benzylideneamino]-3-[(Z)-benzylideneamino]-1-phenyl-urea
CAS Name: 1-phenyl-1-[(E)-(phenylmethylene)amino]-3-[(Z)-(phenylmethylene)amino]urea
IUPAC NAME: 1-[(E)-benzylideneamino]-3-[(Z)-benzylideneamino]-1-phenylurea
SYSTEMATIC NAME: 1-phenyl-1-[(E)-(phenylmethylidene)amino]-3-[(Z)-(phenylmethylidene)amino]urea
MOLECULAR FORMULA: C21H18N4O
MOLECULAR WEIGHT: 342.39382
SMILES: C1=CC=C(C=C1)/C=N\NC(=O)N(C2=CC=CC=C2)/N=C/C3=CC=CC=C3
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Product OPENEYE NAME: 5-fluoro-1-[(E)-styryl]sulfonyl-pyrimidine-2,4-dione
CAS Name: 5-fluoro-1-[(E)-2-phenylethenyl]sulfonylpyrimidine-2,4-dione
IUPAC NAME: 5-fluoro-1-[(E)-2-phenylethenyl]sulfonylpyrimidine-2,4-dione
SYSTEMATIC NAME: 5-fluoranyl-1-[(E)-2-phenylethenyl]sulfonyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C12H9FN2O4S
MOLECULAR WEIGHT: 296.274263
SMILES: C1=CC=C(C=C1)/C=C/S(=O)(=O)N2C=C(C(=O)NC2=O)F
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Product OPENEYE NAME: 4-(pyrrol-1-ylmethyl)thiophene-3-carbonyl chloride
CAS Name: 4-(1-pyrrolylmethyl)-3-thiophenecarbonyl chloride
IUPAC NAME: 4-(pyrrol-1-ylmethyl)thiophene-3-carbonyl chloride
SYSTEMATIC NAME: 4-(pyrrol-1-ylmethyl)thiophene-3-carbonyl chloride
MOLECULAR FORMULA: C10H8ClNOS
MOLECULAR WEIGHT: 225.69462
SMILES: C1=CN(C=C1)CC2=CSC=C2C(=O)Cl
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Product OPENEYE NAME: 4-[(2-formylpyrrol-1-yl)methyl]thiophene-3-carbonyl chloride
CAS Name: 4-[(2-formyl-1-pyrrolyl)methyl]-3-thiophenecarbonyl chloride
IUPAC NAME: 4-[(2-formylpyrrol-1-yl)methyl]thiophene-3-carbonyl chloride
SYSTEMATIC NAME: 4-[(2-methanoylpyrrol-1-yl)methyl]thiophene-3-carbonyl chloride
MOLECULAR FORMULA: C11H8ClNO2S
MOLECULAR WEIGHT: 253.70472
SMILES: C1=CN(C(=C1)C=O)CC2=CSC=C2C(=O)Cl
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Product OPENEYE NAME: N-[(5E)-5-[amino(cyano)methylene]-3-benzyl-imidazol-4-ylidene]acetamide
CAS Name: N-[(5E)-5-[amino(cyano)methylidene]-3-(phenylmethyl)-4-imidazolylidene]acetamide
IUPAC NAME: N-[(5E)-5-[amino(cyano)methylidene]-3-benzylimidazol-4-ylidene]acetamide
SYSTEMATIC NAME: N-[(5E)-5-[azanyl(cyano)methylidene]-3-(phenylmethyl)imidazol-4-ylidene]ethanamide
MOLECULAR FORMULA: C14H13N5O
MOLECULAR WEIGHT: 267.28592
SMILES: CC(=O)N=C1/C(=C(/C#N)\N)/N=CN1CC2=CC=CC=C2
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Product OPENEYE NAME: (2E)-2-amino-2-(1-benzyl-5-imino-imidazol-4-ylidene)acetonitrile
CAS Name: (2E)-2-amino-2-[5-imino-1-(phenylmethyl)-4-imidazolylidene]acetonitrile
IUPAC NAME: (2E)-2-amino-2-(1-benzyl-5-iminoimidazol-4-ylidene)acetonitrile
SYSTEMATIC NAME: (2E)-2-azanyl-2-[5-azanylidene-1-(phenylmethyl)imidazol-4-ylidene]ethanenitrile
MOLECULAR FORMULA: C12H11N5
MOLECULAR WEIGHT: 225.24924
SMILES: C1=CC=C(C=C1)CN2C=N/C(=C(\C#N)/N)/C2=N
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Product OPENEYE NAME: 2-acetyl-9-benzyl-2-methyl-1H-purine-6-carboxamide
CAS Name: 2-acetyl-2-methyl-9-(phenylmethyl)-1H-purine-6-carboxamide
IUPAC NAME: 2-acetyl-9-benzyl-2-methyl-1H-purine-6-carboxamide
SYSTEMATIC NAME: 2-ethanoyl-2-methyl-9-(phenylmethyl)-1H-purine-6-carboxamide
MOLECULAR FORMULA: C16H17N5O2
MOLECULAR WEIGHT: 311.33848
SMILES: CC(=O)C1(NC(=C2C(=N1)N(C=N2)CC3=CC=CC=C3)C(=O)N)C
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Product OPENEYE NAME: but-3-yn-1-olate
CAS Name: 3-butyn-1-olate
IUPAC NAME: but-3-yn-1-olate
SYSTEMATIC NAME: but-3-yn-1-olate
MOLECULAR FORMULA: C4H5O-
MOLECULAR WEIGHT: 69.0819
SMILES: C#CCC[O-]
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Product OPENEYE NAME: pent-3-yn-1-olate
CAS Name: 3-pentyn-1-olate
IUPAC NAME: pent-3-yn-1-olate
SYSTEMATIC NAME: pent-3-yn-1-olate
MOLECULAR FORMULA: C5H7O-
MOLECULAR WEIGHT: 83.10848
SMILES: CC#CCC[O-]
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