Friday, April 26, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 1,1,4,4-tetraethylpiperazine-1,4-diium dibromide
CAS Name: 1,1,4,4-tetraethylpiperazine-1,4-diium dibromide
IUPAC NAME: 1,1,4,4-tetraethylpiperazine-1,4-diium dibromide
SYSTEMATIC NAME: 1,1,4,4-tetraethylpiperazine-1,4-diium dibromide
MOLECULAR FORMULA: C12H28Br2N2
MOLECULAR WEIGHT: 360.17212
SMILES: CC[N+]1(CC[N+](CC1)(CC)CC)CC.[Br-].[Br-]
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Product OPENEYE NAME: 1-decoxy-2,3,4,5,6-pentafluoro-benzene
CAS Name: 1-decoxy-2,3,4,5,6-pentafluorobenzene
IUPAC NAME: 1-decoxy-2,3,4,5,6-pentafluorobenzene
SYSTEMATIC NAME: 1-decoxy-2,3,4,5,6-pentakis(fluoranyl)benzene
MOLECULAR FORMULA: C16H21F5O
MOLECULAR WEIGHT: 324.329356
SMILES: CCCCCCCCCCOC1=C(C(=C(C(=C1F)F)F)F)F
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Product OPENEYE NAME: 3-hydroxy-2-(2-methoxyphenyl)isoindolin-1-one
CAS Name: 3-hydroxy-2-(2-methoxyphenyl)-3H-isoindol-1-one
IUPAC NAME: 3-hydroxy-2-(2-methoxyphenyl)-3H-isoindol-1-one
SYSTEMATIC NAME: 2-(2-methoxyphenyl)-3-oxidanyl-3H-isoindol-1-one
MOLECULAR FORMULA: C15H13NO3
MOLECULAR WEIGHT: 255.26862
SMILES: COC1=CC=CC=C1N2C(C3=CC=CC=C3C2=O)O
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Product OPENEYE NAME: 3-hydroxy-2-(3-methoxyphenyl)isoindolin-1-one
CAS Name: 3-hydroxy-2-(3-methoxyphenyl)-3H-isoindol-1-one
IUPAC NAME: 3-hydroxy-2-(3-methoxyphenyl)-3H-isoindol-1-one
SYSTEMATIC NAME: 2-(3-methoxyphenyl)-3-oxidanyl-3H-isoindol-1-one
MOLECULAR FORMULA: C15H13NO3
MOLECULAR WEIGHT: 255.26862
SMILES: COC1=CC=CC(=C1)N2C(C3=CC=CC=C3C2=O)O
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Product OPENEYE NAME: 3-hydroxy-7-methoxy-2-phenyl-isoindolin-1-one
CAS Name: 3-hydroxy-7-methoxy-2-phenyl-3H-isoindol-1-one
IUPAC NAME: 3-hydroxy-7-methoxy-2-phenyl-3H-isoindol-1-one
SYSTEMATIC NAME: 7-methoxy-3-oxidanyl-2-phenyl-3H-isoindol-1-one
MOLECULAR FORMULA: C15H13NO3
MOLECULAR WEIGHT: 255.26862
SMILES: COC1=CC=CC2=C1C(=O)N(C2O)C3=CC=CC=C3
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Product OPENEYE NAME: 6-oxopyran-3-carbaldehyde
CAS Name: 6-oxo-3-pyrancarboxaldehyde
IUPAC NAME: 6-oxopyran-3-carbaldehyde
SYSTEMATIC NAME: 6-oxidanylidenepyran-3-carbaldehyde
MOLECULAR FORMULA: C6H4O3
MOLECULAR WEIGHT: 124.09416
SMILES: C1=CC(=O)OC=C1C=O
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Product OPENEYE NAME: (2E)-2-(1-piperidylmethylene)but-3-enal
CAS Name: (2E)-2-(1-piperidinylmethylidene)-3-butenal
IUPAC NAME: (2E)-2-(piperidin-1-ylmethylidene)but-3-enal
SYSTEMATIC NAME: (2E)-2-(piperidin-1-ylmethylidene)but-3-enal
MOLECULAR FORMULA: C10H15NO
MOLECULAR WEIGHT: 165.2322
SMILES: C=C/C(=C\N1CCCCC1)/C=O
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Product OPENEYE NAME: 4-octylbenzamidine
CAS Name: 4-octylbenzenecarboximidamide
IUPAC NAME: 4-octylbenzenecarboximidamide
SYSTEMATIC NAME: 4-octylbenzenecarboximidamide
MOLECULAR FORMULA: C15H24N2
MOLECULAR WEIGHT: 232.36446
SMILES: CCCCCCCCC1=CC=C(C=C1)C(=N)N
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Product OPENEYE NAME: 4-octylbenzamidine hydrochloride
CAS Name: 4-octylbenzenecarboximidamide hydrochloride
IUPAC NAME: 4-octylbenzenecarboximidamide hydrochloride
SYSTEMATIC NAME: 4-octylbenzenecarboximidamide hydrochloride
MOLECULAR FORMULA: C15H25ClN2
MOLECULAR WEIGHT: 268.8254
SMILES: CCCCCCCCC1=CC=C(C=C1)C(=N)N.Cl
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Product OPENEYE NAME: 4,6-dimethylpyrimidine-2-carboxamidine
CAS Name: 4,6-dimethyl-2-pyrimidinecarboximidamide
IUPAC NAME: 4,6-dimethylpyrimidine-2-carboximidamide
SYSTEMATIC NAME: 4,6-dimethylpyrimidine-2-carboximidamide
MOLECULAR FORMULA: C7H10N4
MOLECULAR WEIGHT: 150.1811
SMILES: CC1=CC(=NC(=N1)C(=N)N)C
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Product OPENEYE NAME: 5-vinylpyrimidin-2-amine
CAS Name: 5-ethenyl-2-pyrimidinamine
IUPAC NAME: 5-ethenylpyrimidin-2-amine
SYSTEMATIC NAME: 5-ethenylpyrimidin-2-amine
MOLECULAR FORMULA: C6H7N3
MOLECULAR WEIGHT: 121.13988
SMILES: C=CC1=CN=C(N=C1)N
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Product OPENEYE NAME: N,N-dimethyl-5-vinyl-pyrimidin-2-amine
CAS Name: 5-ethenyl-N,N-dimethyl-2-pyrimidinamine
IUPAC NAME: 5-ethenyl-N,N-dimethylpyrimidin-2-amine
SYSTEMATIC NAME: 5-ethenyl-N,N-dimethyl-pyrimidin-2-amine
MOLECULAR FORMULA: C8H11N3
MOLECULAR WEIGHT: 149.19304
SMILES: CN(C)C1=NC=C(C=N1)C=C
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Product OPENEYE NAME: 2-(p-tolyl)-5-vinyl-pyrimidine
CAS Name: 5-ethenyl-2-(4-methylphenyl)pyrimidine
IUPAC NAME: 5-ethenyl-2-(4-methylphenyl)pyrimidine
SYSTEMATIC NAME: 5-ethenyl-2-(4-methylphenyl)pyrimidine
MOLECULAR FORMULA: C13H12N2
MOLECULAR WEIGHT: 196.24778
SMILES: CC1=CC=C(C=C1)C2=NC=C(C=N2)C=C
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Product OPENEYE NAME: 2-(2-pyridyl)-5-vinyl-pyrimidine
CAS Name: 5-ethenyl-2-(2-pyridinyl)pyrimidine
IUPAC NAME: 5-ethenyl-2-pyridin-2-ylpyrimidine
SYSTEMATIC NAME: 5-ethenyl-2-pyridin-2-yl-pyrimidine
MOLECULAR FORMULA: C11H9N3
MOLECULAR WEIGHT: 183.20926
SMILES: C=CC1=CN=C(N=C1)C2=CC=CC=N2
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Product OPENEYE NAME: 2-pyrimidin-2-yl-5-vinyl-pyrimidine
CAS Name: 5-ethenyl-2-(2-pyrimidinyl)pyrimidine
IUPAC NAME: 5-ethenyl-2-pyrimidin-2-ylpyrimidine
SYSTEMATIC NAME: 5-ethenyl-2-pyrimidin-2-yl-pyrimidine
MOLECULAR FORMULA: C10H8N4
MOLECULAR WEIGHT: 184.19732
SMILES: C=CC1=CN=C(N=C1)C2=NC=CC=N2
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