Friday, April 27, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 2-[4-chloro-2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]acetamide
CAS Name: 2-[4-chloro-2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]acetamide
IUPAC NAME: 2-[4-chloro-2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]acetamide
SYSTEMATIC NAME: 2-[2-[1,8-bis(oxidanylidene)-2,3,4,5,6,7,9,10-octahydroacridin-9-yl]-4-chloranyl-phenoxy]ethanamide
MOLECULAR FORMULA: C21H21ClN2O4
MOLECULAR WEIGHT: 400.85544
SMILES: C1CC2=C(C(C3=C(N2)CCCC3=O)C4=C(C=CC(=C4)Cl)OCC(=O)N)C(=O)C1
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Product OPENEYE NAME: (2S)-2-[(2-fluorophenyl)methylamino]butan-1-ol
CAS Name: (2S)-2-[(2-fluorophenyl)methylamino]-1-butanol
IUPAC NAME: (2S)-2-[(2-fluorophenyl)methylamino]butan-1-ol
SYSTEMATIC NAME: (2S)-2-[(2-fluorophenyl)methylamino]butan-1-ol
MOLECULAR FORMULA: C11H16FNO
MOLECULAR WEIGHT: 197.249243
SMILES: CC[C@@H](CO)NCC1=CC=CC=C1F
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Product OPENEYE NAME: (2R)-2-[(2-fluorophenyl)methylamino]butan-1-ol
CAS Name: (2R)-2-[(2-fluorophenyl)methylamino]-1-butanol
IUPAC NAME: (2R)-2-[(2-fluorophenyl)methylamino]butan-1-ol
SYSTEMATIC NAME: (2R)-2-[(2-fluorophenyl)methylamino]butan-1-ol
MOLECULAR FORMULA: C11H16FNO
MOLECULAR WEIGHT: 197.249243
SMILES: CC[C@H](CO)NCC1=CC=CC=C1F
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Product OPENEYE NAME: 2-(2-chlorobenzimidazol-1-yl)ethanol
CAS Name: 2-(2-chloro-1-benzimidazolyl)ethanol
IUPAC NAME: 2-(2-chlorobenzimidazol-1-yl)ethanol
SYSTEMATIC NAME: 2-(2-chloranylbenzimidazol-1-yl)ethanol
MOLECULAR FORMULA: C9H9ClN2O
MOLECULAR WEIGHT: 196.63356
SMILES: C1=CC=C2C(=C1)N=C(N2CCO)Cl
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Product OPENEYE NAME: N-(4-bromophenyl)-2-(2-ethoxy-4-formyl-phenoxy)acetamide
CAS Name: N-(4-bromophenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
IUPAC NAME: N-(4-bromophenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
SYSTEMATIC NAME: N-(4-bromophenyl)-2-(2-ethoxy-4-methanoyl-phenoxy)ethanamide
MOLECULAR FORMULA: C17H16BrNO4
MOLECULAR WEIGHT: 378.21724
SMILES: CCOC1=C(C=CC(=C1)C=O)OCC(=O)NC2=CC=C(C=C2)Br
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Product OPENEYE NAME: 2-(2-ethoxy-4-formyl-phenoxy)-N,N-diphenyl-acetamide
CAS Name: 2-(2-ethoxy-4-formylphenoxy)-N,N-diphenylacetamide
IUPAC NAME: 2-(2-ethoxy-4-formylphenoxy)-N,N-diphenylacetamide
SYSTEMATIC NAME: 2-(2-ethoxy-4-methanoyl-phenoxy)-N,N-diphenyl-ethanamide
MOLECULAR FORMULA: C23H21NO4
MOLECULAR WEIGHT: 375.41714
SMILES: CCOC1=C(C=CC(=C1)C=O)OCC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-methoxyphenoxy)acetamide
CAS Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-methoxyphenoxy)acetamide
IUPAC NAME: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-methoxyphenoxy)acetamide
SYSTEMATIC NAME: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-methoxyphenoxy)ethanamide
MOLECULAR FORMULA: C19H20N2O3S
MOLECULAR WEIGHT: 356.4387
SMILES: COC1=CC=CC=C1OCC(=O)NC2=C(C3=C(S2)CCCCC3)C#N
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C19H18N4O2S
MOLECULAR WEIGHT: 366.43682
SMILES: COC1=CC=CC=C1OCC2=NN3C=NC4=C(C3=N2)C5=C(S4)CCCC5
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C20H20N4O2S
MOLECULAR WEIGHT: 380.4634
SMILES: COC1=CC=CC=C1OCC2=NN3C=NC4=C(C3=N2)C5=C(S4)CCCCC5
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
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MOLECULAR FORMULA: C19H20N6S
MOLECULAR WEIGHT: 364.4673
SMILES: CC1(CC2=C(C(N1)(C)C)SC3=C2C4=NC(=NN4C=N3)C5=CC=CC=N5)C
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Product OPENEYE NAME: N-[2-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CAS Name: N-[2-[(1,3-benzothiazol-2-ylamino)-oxomethyl]phenyl]-2-furancarboxamide
IUPAC NAME: N-[2-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide
SYSTEMATIC NAME: N-[2-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide
MOLECULAR FORMULA: C19H13N3O3S
MOLECULAR WEIGHT: 363.38982
SMILES: C1=CC=C(C(=C1)C(=O)NC2=NC3=CC=CC=C3S2)NC(=O)C4=CC=CO4
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Product OPENEYE NAME: 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridyl]sulfanyl]-N-[(1R)-1-phenylethyl]acetamide
CAS Name: 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]thio]-N-[(1R)-1-phenylethyl]acetamide
IUPAC NAME: 2-[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide
SYSTEMATIC NAME: 2-[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-2-yl]sulfanyl-N-[(1R)-1-phenylethyl]ethanamide
MOLECULAR FORMULA: C19H21N3O2S
MOLECULAR WEIGHT: 355.45394
SMILES: CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)N[C@H](C)C2=CC=CC=C2
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Product OPENEYE NAME: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)acetamide
CAS Name: N-(3,4-dimethylphenyl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide
IUPAC NAME: N-(3,4-dimethylphenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-(3,4-dimethylphenyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C21H21N3O2S
MOLECULAR WEIGHT: 379.47534
SMILES: CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C)C
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Product OPENEYE NAME: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CAS Name: N-(3,5-dimethylphenyl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide
IUPAC NAME: N-(3,5-dimethylphenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-(3,5-dimethylphenyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C21H21N3O2S
MOLECULAR WEIGHT: 379.47534
SMILES: CC1=CC(=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C)C
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Product OPENEYE NAME: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2,4-dimethoxyphenyl)acetamide
CAS Name: N-(2,4-dimethoxyphenyl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide
IUPAC NAME: N-(2,4-dimethoxyphenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-(2,4-dimethoxyphenyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C21H21N3O4S
MOLECULAR WEIGHT: 411.47414
SMILES: COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C)OC
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