Friday, July 27, 2012

All Chemical Compounds Information




Product OPENEYE NAME: (1S,5R)-8-methylspiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-2',4'-dione
CAS Name: (1S,5R)-8-methylspiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-2',4'-dione
IUPAC NAME: (1S,5R)-8-methylspiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-2',4'-dione
SYSTEMATIC NAME: (1S,5R)-8-methylspiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-2',4'-dione
MOLECULAR FORMULA: C10H15N3O2
MOLECULAR WEIGHT: 209.245
SMILES: CN1[C@@H]2CC[C@H]1CC3(C2)C(=O)NC(=O)N3
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Product OPENEYE NAME: (1R,6S)-3'-[(dibenzhydrylamino)methyl]-10-methyl-spiro[10-azabicyclo[4.3.1]decane-8,5'-imidazolidine]-2',4'-dione
CAS Name: (1R,6S)-3'-[[bis(diphenylmethyl)amino]methyl]-10-methylspiro[10-azabicyclo[4.3.1]decane-8,5'-imidazolidine]-2',4'-dione
IUPAC NAME: (1R,6S)-3'-[(dibenzhydrylamino)methyl]-10-methylspiro[10-azabicyclo[4.3.1]decane-8,5'-imidazolidine]-2',4'-dione
SYSTEMATIC NAME: (1R,6S)-3'-[[bis(diphenylmethyl)amino]methyl]-10-methyl-spiro[10-azabicyclo[4.3.1]decane-8,5'-imidazolidine]-2',4'-dione
MOLECULAR FORMULA: C39H42N4O2
MOLECULAR WEIGHT: 598.77638
SMILES: CN1[C@@H]2CCCC[C@H]1CC3(C2)C(=O)N(C(=O)N3)CN(C(C4=CC=CC=C4)C5=CC=CC=C5)C(C6=CC=CC=C6)C7=CC=CC=C7
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Product OPENEYE NAME: (1R,6S)-10-methyl-10-azabicyclo[4.3.1]decan-8-one
CAS Name: (1R,6S)-10-methyl-10-azabicyclo[4.3.1]decan-8-one
IUPAC NAME: (1R,6S)-10-methyl-10-azabicyclo[4.3.1]decan-8-one
SYSTEMATIC NAME: (1R,6S)-10-methyl-10-azabicyclo[4.3.1]decan-8-one
MOLECULAR FORMULA: C10H17NO
MOLECULAR WEIGHT: 167.24808
SMILES: CN1[C@@H]2CCCC[C@H]1CC(=O)C2
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Product OPENEYE NAME: (1S,6R)-10-methylspiro[10-azabicyclo[4.3.1]decane-8,5'-imidazolidine]-2',4'-dione
CAS Name: (1S,6R)-10-methylspiro[10-azabicyclo[4.3.1]decane-8,5'-imidazolidine]-2',4'-dione
IUPAC NAME: (1S,6R)-10-methylspiro[10-azabicyclo[4.3.1]decane-8,5'-imidazolidine]-2',4'-dione
SYSTEMATIC NAME: (1S,6R)-10-methylspiro[10-azabicyclo[4.3.1]decane-8,5'-imidazolidine]-2',4'-dione
MOLECULAR FORMULA: C12H19N3O2
MOLECULAR WEIGHT: 237.29816
SMILES: CN1[C@@H]2CCCC[C@H]1CC3(C2)C(=O)NC(=O)N3
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Product OPENEYE NAME: (1S,6R)-1',3'-diacetyl-10-methyl-spiro[10-azabicyclo[4.3.1]decane-8,5'-imidazolidine]-2',4'-dione
CAS Name: (1S,6R)-1',3'-diacetyl-10-methylspiro[10-azabicyclo[4.3.1]decane-8,5'-imidazolidine]-2',4'-dione
IUPAC NAME: (1S,6R)-1',3'-diacetyl-10-methylspiro[10-azabicyclo[4.3.1]decane-8,5'-imidazolidine]-2',4'-dione
SYSTEMATIC NAME: (1S,6R)-1',3'-diethanoyl-10-methyl-spiro[10-azabicyclo[4.3.1]decane-8,5'-imidazolidine]-2',4'-dione
MOLECULAR FORMULA: C16H23N3O4
MOLECULAR WEIGHT: 321.37152
SMILES: CC(=O)N1C(=O)C2(C[C@H]3CCCC[C@@H](C2)N3C)N(C1=O)C(=O)C
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Product OPENEYE NAME: (1R,6S)-3'-(hydroxymethyl)-10-methyl-spiro[10-azabicyclo[4.3.1]decane-8,5'-imidazolidine]-2',4'-dione
CAS Name: (1R,6S)-3'-(hydroxymethyl)-10-methylspiro[10-azabicyclo[4.3.1]decane-8,5'-imidazolidine]-2',4'-dione
IUPAC NAME: (1R,6S)-3'-(hydroxymethyl)-10-methylspiro[10-azabicyclo[4.3.1]decane-8,5'-imidazolidine]-2',4'-dione
SYSTEMATIC NAME: (1R,6S)-3'-(hydroxymethyl)-10-methyl-spiro[10-azabicyclo[4.3.1]decane-8,5'-imidazolidine]-2',4'-dione
MOLECULAR FORMULA: C13H21N3O3
MOLECULAR WEIGHT: 267.32414
SMILES: CN1[C@@H]2CCCC[C@H]1CC3(C2)C(=O)N(C(=O)N3)CO
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Product OPENEYE NAME: (1S,6R)-3'-[(diisobutylamino)methyl]-10-methyl-spiro[10-azabicyclo[4.3.1]decane-8,5'-imidazolidine]-2',4'-dione
CAS Name: (1S,6R)-3'-[[bis(2-methylpropyl)amino]methyl]-10-methylspiro[10-azabicyclo[4.3.1]decane-8,5'-imidazolidine]-2',4'-dione
IUPAC NAME: (1S,6R)-3'-[[bis(2-methylpropyl)amino]methyl]-10-methylspiro[10-azabicyclo[4.3.1]decane-8,5'-imidazolidine]-2',4'-dione
SYSTEMATIC NAME: (1S,6R)-3'-[[bis(2-methylpropyl)amino]methyl]-10-methyl-spiro[10-azabicyclo[4.3.1]decane-8,5'-imidazolidine]-2',4'-dione
MOLECULAR FORMULA: C21H38N4O2
MOLECULAR WEIGHT: 378.55202
SMILES: CC(C)CN(CC(C)C)CN1C(=O)C2(C[C@H]3CCCC[C@@H](C2)N3C)NC1=O
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Product OPENEYE NAME: 1-[(E)-2-ethoxy-3,3-dimethyl-1-phenyl-but-1-enyl]imidazole
CAS Name: 1-[(E)-2-ethoxy-3,3-dimethyl-1-phenylbut-1-enyl]imidazole
IUPAC NAME: 1-[(E)-2-ethoxy-3,3-dimethyl-1-phenylbut-1-enyl]imidazole
SYSTEMATIC NAME: 1-[(E)-2-ethoxy-3,3-dimethyl-1-phenyl-but-1-enyl]imidazole
MOLECULAR FORMULA: C17H22N2O
MOLECULAR WEIGHT: 270.36938
SMILES: CCO/C(=C(\C1=CC=CC=C1)/N2C=CN=C2)/C(C)(C)C
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Product OPENEYE NAME: 1-[(E)-3,3-dimethyl-1-phenyl-2-(2-phenylethoxy)but-1-enyl]imidazole
CAS Name: 1-[(E)-3,3-dimethyl-1-phenyl-2-(2-phenylethoxy)but-1-enyl]imidazole
IUPAC NAME: 1-[(E)-3,3-dimethyl-1-phenyl-2-(2-phenylethoxy)but-1-enyl]imidazole
SYSTEMATIC NAME: 1-[(E)-3,3-dimethyl-1-phenyl-2-(2-phenylethoxy)but-1-enyl]imidazole
MOLECULAR FORMULA: C23H26N2O
MOLECULAR WEIGHT: 346.46534
SMILES: CC(C)(C)/C(=C(/C1=CC=CC=C1)\N2C=CN=C2)/OCCC3=CC=CC=C3
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Product OPENEYE NAME: 6-(4-chlorophenyl)sulfonyl-1-hydroxy-2-imino-5-oxido-pyrido[3,2-d]pyrimidin-5-ium-4-amine
CAS Name: 6-(4-chlorophenyl)sulfonyl-1-hydroxy-2-imino-5-oxido-4-pyrido[3,2-d]pyrimidin-5-iumamine
IUPAC NAME: 6-(4-chlorophenyl)sulfonyl-1-hydroxy-2-imino-5-oxidopyrido[3,2-d]pyrimidin-5-ium-4-amine
SYSTEMATIC NAME: 2-azanylidene-6-(4-chlorophenyl)sulfonyl-5-oxidanidyl-1-oxidanyl-pyrido[3,2-d]pyrimidin-5-ium-4-amine
MOLECULAR FORMULA: C13H10ClN5O4S
MOLECULAR WEIGHT: 367.7676
SMILES: C1=CC(=CC=C1S(=O)(=O)C2=[N+](C3=C(C=C2)N(C(=N)N=C3N)O)[O-])Cl
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Product OPENEYE NAME: 3-(dimethylamino)-6-methyl-1H-quinazoline-2,4-dione
CAS Name: 3-(dimethylamino)-6-methyl-1H-quinazoline-2,4-dione
IUPAC NAME: 3-(dimethylamino)-6-methyl-1H-quinazoline-2,4-dione
SYSTEMATIC NAME: 3-(dimethylamino)-6-methyl-1H-quinazoline-2,4-dione
MOLECULAR FORMULA: C11H13N3O2
MOLECULAR WEIGHT: 219.23982
SMILES: CC1=CC2=C(C=C1)NC(=O)N(C2=O)N(C)C
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Product OPENEYE NAME: 6-methyl-3-(1-piperidyl)-1H-quinazoline-2,4-dione
CAS Name: 6-methyl-3-(1-piperidinyl)-1H-quinazoline-2,4-dione
IUPAC NAME: 6-methyl-3-piperidin-1-yl-1H-quinazoline-2,4-dione
SYSTEMATIC NAME: 6-methyl-3-piperidin-1-yl-1H-quinazoline-2,4-dione
MOLECULAR FORMULA: C14H17N3O2
MOLECULAR WEIGHT: 259.30368
SMILES: CC1=CC2=C(C=C1)NC(=O)N(C2=O)N3CCCCC3
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Product OPENEYE NAME: 6-chloro-3-(1-piperidyl)-1H-quinazoline-2,4-dione
CAS Name: 6-chloro-3-(1-piperidinyl)-1H-quinazoline-2,4-dione
IUPAC NAME: 6-chloro-3-piperidin-1-yl-1H-quinazoline-2,4-dione
SYSTEMATIC NAME: 6-chloranyl-3-piperidin-1-yl-1H-quinazoline-2,4-dione
MOLECULAR FORMULA: C13H14ClN3O2
MOLECULAR WEIGHT: 279.72216
SMILES: C1CCN(CC1)N2C(=O)C3=C(C=CC(=C3)Cl)NC2=O
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Product OPENEYE NAME: 6-chloro-3-morpholino-1H-quinazoline-2,4-dione
CAS Name: 6-chloro-3-(4-morpholinyl)-1H-quinazoline-2,4-dione
IUPAC NAME: 6-chloro-3-morpholin-4-yl-1H-quinazoline-2,4-dione
SYSTEMATIC NAME: 6-chloranyl-3-morpholin-4-yl-1H-quinazoline-2,4-dione
MOLECULAR FORMULA: C12H12ClN3O3
MOLECULAR WEIGHT: 281.69498
SMILES: C1COCCN1N2C(=O)C3=C(C=CC(=C3)Cl)NC2=O
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Product OPENEYE NAME: ethyl 3-(2-adamantyl)-3-oxo-propanoate
CAS Name: 3-(2-adamantyl)-3-oxopropanoic acid ethyl ester
IUPAC NAME: ethyl 3-(2-adamantyl)-3-oxopropanoate
SYSTEMATIC NAME: ethyl 3-(2-adamantyl)-3-oxidanylidene-propanoate
MOLECULAR FORMULA: C15H22O3
MOLECULAR WEIGHT: 250.33338
SMILES: CCOC(=O)CC(=O)C1C2CC3CC(C2)CC1C3
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Product OPENEYE NAME: (5E)-3-amino-2-imino-6-phenyl-5-(phenylhydrazono)pyrimidin-4-one
CAS Name: (5E)-3-amino-2-imino-6-phenyl-5-(phenylhydrazinylidene)-4-pyrimidinone
IUPAC NAME: (5E)-3-amino-2-imino-6-phenyl-5-(phenylhydrazinylidene)pyrimidin-4-one
SYSTEMATIC NAME: (5E)-3-azanyl-2-azanylidene-6-phenyl-5-(phenylhydrazinylidene)pyrimidin-4-one
MOLECULAR FORMULA: C16H14N6O
MOLECULAR WEIGHT: 306.32196
SMILES: C1=CC=C(C=C1)C\2=NC(=N)N(C(=O)/C2=N/NC3=CC=CC=C3)N
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Product OPENEYE NAME: (Z)-2-cyano-N-methyl-3-(methylamino)prop-2-enamide
CAS Name: (Z)-2-cyano-N-methyl-3-(methylamino)-2-propenamide
IUPAC NAME: (Z)-2-cyano-N-methyl-3-(methylamino)prop-2-enamide
SYSTEMATIC NAME: (Z)-2-cyano-N-methyl-3-(methylamino)prop-2-enamide
MOLECULAR FORMULA: C6H9N3O
MOLECULAR WEIGHT: 139.15516
SMILES: CN/C=C(/C#N)\C(=O)NC
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H11N7
MOLECULAR WEIGHT: 265.27334
SMILES: CC1=NN(C2=C1N=NC3=NN=C(N23)C)C4=CC=CC=C4
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H13N7O
MOLECULAR WEIGHT: 343.34212
SMILES: CC1=NN(C2=C1NN=C3N2C(=C4C=CC=CC4=O)N=N3)C5=CC=CC=C5
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