Tuesday, August 30, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 2-(3-nitrophenyl)-4-phenyl-6-(trichloromethyl)-1,3,5-triazine
CAS Name: 2-(3-nitrophenyl)-4-phenyl-6-(trichloromethyl)-1,3,5-triazine
IUPAC NAME: 2-(3-nitrophenyl)-4-phenyl-6-(trichloromethyl)-1,3,5-triazine
SYSTEMATIC NAME: 2-(3-nitrophenyl)-4-phenyl-6-(trichloromethyl)-1,3,5-triazine
MOLECULAR FORMULA: C16H9Cl3N4O2
MOLECULAR WEIGHT: 395.62726
SMILES: C1=CC=C(C=C1)C2=NC(=NC(=N2)C(Cl)(Cl)Cl)C3=CC(=CC=C3)[N+](=O)[O-]
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Product OPENEYE NAME: 2-(4-methoxyphenyl)-4-phenyl-6-(trichloromethyl)-1,3,5-triazine
CAS Name: 2-(4-methoxyphenyl)-4-phenyl-6-(trichloromethyl)-1,3,5-triazine
IUPAC NAME: 2-(4-methoxyphenyl)-4-phenyl-6-(trichloromethyl)-1,3,5-triazine
SYSTEMATIC NAME: 2-(4-methoxyphenyl)-4-phenyl-6-(trichloromethyl)-1,3,5-triazine
MOLECULAR FORMULA: C17H12Cl3N3O
MOLECULAR WEIGHT: 380.65568
SMILES: COC1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC=C3)C(Cl)(Cl)Cl
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Product OPENEYE NAME: 2-methyl-1,3,5-triazine
CAS Name: 2-methyl-1,3,5-triazine
IUPAC NAME: 2-methyl-1,3,5-triazine
SYSTEMATIC NAME: 2-methyl-1,3,5-triazine
MOLECULAR FORMULA: C4H5N3
MOLECULAR WEIGHT: 95.1026
SMILES: CC1=NC=NC=N1
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Product OPENEYE NAME: 2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol dihydrochloride
CAS Name: 2-methoxy-4-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenol dihydrochloride
IUPAC NAME: 2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol dihydrochloride
SYSTEMATIC NAME: 2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol dihydrochloride
MOLECULAR FORMULA: C16H22Cl2N4O2
MOLECULAR WEIGHT: 373.27748
SMILES: COC1=C(C=CC(=C1)CN2CCN(CC2)C3=NC=CC=N3)O.Cl.Cl
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Product OPENEYE NAME: 2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol
CAS Name: 2-methoxy-4-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenol
IUPAC NAME: 2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol
SYSTEMATIC NAME: 2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol
MOLECULAR FORMULA: C16H20N4O2
MOLECULAR WEIGHT: 300.3556
SMILES: COC1=C(C=CC(=C1)CN2CCN(CC2)C3=NC=CC=N3)O
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Product OPENEYE NAME: 2-tert-butyl-1,4-benzoquinone
CAS Name: 2-tert-butylcyclohexa-2,5-diene-1,4-dione
IUPAC NAME: 2-tert-butylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-tert-butylcyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C10H12O2
MOLECULAR WEIGHT: 164.20108
SMILES: CC(C)(C)C1=CC(=O)C=CC1=O
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Product OPENEYE NAME: (2S,3R,5R,9R,10R,13R,14S,17R)-17-[(1S,2R)-2,5-dihydroxy-1,5-dimethyl-hexyl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
CAS Name: (2S,3R,5R,9R,10R,13R,14S,17R)-17-[(2S,3R)-3,6-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
IUPAC NAME: (2S,3R,5R,9R,10R,13R,14S,17R)-17-[(2S,3R)-3,6-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
SYSTEMATIC NAME: (2S,3R,5R,9R,10R,13R,14S,17R)-10,13-dimethyl-17-[(2S,3R)-6-methyl-3,6-bis(oxidanyl)heptan-2-yl]-2,3,14-tris(oxidanyl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
MOLECULAR FORMULA: C27H44O6
MOLECULAR WEIGHT: 464.63466
SMILES: C[C@@H]([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O)[C@@H](CCC(C)(C)O)O
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Product OPENEYE NAME: 5,8-dichloronaphthalen-1-amine
CAS Name: 5,8-dichloro-1-naphthalenamine
IUPAC NAME: 5,8-dichloronaphthalen-1-amine
SYSTEMATIC NAME: 5,8-bis(chloranyl)naphthalen-1-amine
MOLECULAR FORMULA: C10H7Cl2N
MOLECULAR WEIGHT: 212.07528
SMILES: C1=CC2=C(C=CC(=C2C(=C1)N)Cl)Cl
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Product OPENEYE NAME: 1-(3-chloro-4-methyl-phenyl)-4-[2-[2-[4-(3-chloro-4-methyl-phenyl)piperazin-1-yl]ethylsulfonyl]ethyl]piperazine
CAS Name: 1-(3-chloro-4-methylphenyl)-4-[2-[2-[4-(3-chloro-4-methylphenyl)-1-piperazinyl]ethylsulfonyl]ethyl]piperazine
IUPAC NAME: 1-(3-chloro-4-methylphenyl)-4-[2-[2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]ethylsulfonyl]ethyl]piperazine
SYSTEMATIC NAME: 1-(3-chloranyl-4-methyl-phenyl)-4-[2-[2-[4-(3-chloranyl-4-methyl-phenyl)piperazin-1-yl]ethylsulfonyl]ethyl]piperazine
MOLECULAR FORMULA: C26H36Cl2N4O2S
MOLECULAR WEIGHT: 539.56064
SMILES: CC1=C(C=C(C=C1)N2CCN(CC2)CCS(=O)(=O)CCN3CCN(CC3)C4=CC(=C(C=C4)C)Cl)Cl
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Product OPENEYE NAME: 1,1,1,3,3,3-hexachloropropane
CAS Name: 1,1,1,3,3,3-hexachloropropane
IUPAC NAME: 1,1,1,3,3,3-hexachloropropane
SYSTEMATIC NAME: 1,1,1,3,3,3-hexakis(chloranyl)propane
MOLECULAR FORMULA: C3H2Cl6
MOLECULAR WEIGHT: 250.76598
SMILES: C(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
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Product OPENEYE NAME: benzothiophen-4-ol
CAS Name: 1-benzothiophen-4-ol
IUPAC NAME: 1-benzothiophen-4-ol
SYSTEMATIC NAME: 1-benzothiophen-4-ol
MOLECULAR FORMULA: C8H6OS
MOLECULAR WEIGHT: 150.19764
SMILES: C1=CC(=C2C=CSC2=C1)O
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Product OPENEYE NAME: 2-[2-(2-methoxyethoxy)ethoxy]ethyl acetate
CAS Name: acetic acid 2-[2-(2-methoxyethoxy)ethoxy]ethyl ester
IUPAC NAME: 2-[2-(2-methoxyethoxy)ethoxy]ethyl acetate
SYSTEMATIC NAME: 2-[2-(2-methoxyethoxy)ethoxy]ethyl ethanoate
MOLECULAR FORMULA: C9H18O5
MOLECULAR WEIGHT: 206.23622
SMILES: CC(=O)OCCOCCOCCOC
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Product OPENEYE NAME: 2-(4-methoxy-1H-indol-3-yl)ethanamine
CAS Name: 2-(4-methoxy-1H-indol-3-yl)ethanamine
IUPAC NAME: 2-(4-methoxy-1H-indol-3-yl)ethanamine
SYSTEMATIC NAME: 2-(4-methoxy-1H-indol-3-yl)ethanamine
MOLECULAR FORMULA: C11H14N2O
MOLECULAR WEIGHT: 190.24166
SMILES: COC1=CC=CC2=C1C(=CN2)CCN
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Product OPENEYE NAME: 1-benzylpiperidin-4-one
CAS Name: 1-(phenylmethyl)-4-piperidinone
IUPAC NAME: 1-benzylpiperidin-4-one
SYSTEMATIC NAME: 1-(phenylmethyl)piperidin-4-one
MOLECULAR FORMULA: C12H15NO
MOLECULAR WEIGHT: 189.2536
SMILES: C1CN(CCC1=O)CC2=CC=CC=C2
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Product OPENEYE NAME: 2-(pyridine-3-carbonyloxy)ethyl pyridine-3-carboxylate
CAS Name: 3-pyridinecarboxylic acid 2-[oxo(3-pyridinyl)methoxy]ethyl ester
IUPAC NAME: 2-(pyridine-3-carbonyloxy)ethyl pyridine-3-carboxylate
SYSTEMATIC NAME: 2-pyridin-3-ylcarbonyloxyethyl pyridine-3-carboxylate
MOLECULAR FORMULA: C14H12N2O4
MOLECULAR WEIGHT: 272.25608
SMILES: C1=CC(=CN=C1)C(=O)OCCOC(=O)C2=CN=CC=C2
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