Tuesday, January 29, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-[(5-chloro-2-thienyl)methyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile
CAS Name: 2-[(5-chloro-2-thiophenyl)methyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile
IUPAC NAME: 2-[(5-chlorothiophen-2-yl)methyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile
SYSTEMATIC NAME: 2-[(5-chloranylthiophen-2-yl)methyl]-1,3-bis(oxidanylidene)-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile
MOLECULAR FORMULA: C13H10ClN3O2S
MOLECULAR WEIGHT: 307.7554
SMILES: C1CC2=C(C(=O)N(C(=O)N2C1)CC3=CC=C(S3)Cl)C#N
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Product OPENEYE NAME: 2-[5-(4-bromophenyl)tetrazol-2-yl]propanamide
CAS Name: 2-[5-(4-bromophenyl)-2-tetrazolyl]propanamide
IUPAC NAME: 2-[5-(4-bromophenyl)tetrazol-2-yl]propanamide
SYSTEMATIC NAME: 2-[5-(4-bromophenyl)-1,2,3,4-tetrazol-2-yl]propanamide
MOLECULAR FORMULA: C10H10BrN5O
MOLECULAR WEIGHT: 296.1233
SMILES: CC(C(=O)N)N1N=C(N=N1)C2=CC=C(C=C2)Br
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Product OPENEYE NAME: 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-cyclopropyl-propanamide
CAS Name: 2-[5-(3-chlorophenyl)-2-tetrazolyl]-N-cyclopropylpropanamide
IUPAC NAME: 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-cyclopropylpropanamide
SYSTEMATIC NAME: 2-[5-(3-chlorophenyl)-1,2,3,4-tetrazol-2-yl]-N-cyclopropyl-propanamide
MOLECULAR FORMULA: C13H14ClN5O
MOLECULAR WEIGHT: 291.73616
SMILES: CC(C(=O)NC1CC1)N2N=C(N=N2)C3=CC(=CC=C3)Cl
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Product OPENEYE NAME: 1-(2-methyl-1H-indol-3-yl)-2-(4-methylsulfonylphenoxy)ethanone
CAS Name: 1-(2-methyl-1H-indol-3-yl)-2-(4-methylsulfonylphenoxy)ethanone
IUPAC NAME: 1-(2-methyl-1H-indol-3-yl)-2-(4-methylsulfonylphenoxy)ethanone
SYSTEMATIC NAME: 1-(2-methyl-1H-indol-3-yl)-2-(4-methylsulfonylphenoxy)ethanone
MOLECULAR FORMULA: C18H17NO4S
MOLECULAR WEIGHT: 343.39688
SMILES: CC1=C(C2=CC=CC=C2N1)C(=O)COC3=CC=C(C=C3)S(=O)(=O)C
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Product OPENEYE NAME: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-methylsulfonylphenoxy)ethanone
CAS Name: 1-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-(4-methylsulfonylphenoxy)ethanone
IUPAC NAME: 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(4-methylsulfonylphenoxy)ethanone
SYSTEMATIC NAME: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-methylsulfonylphenoxy)ethanone
MOLECULAR FORMULA: C17H21NO4S
MOLECULAR WEIGHT: 335.41794
SMILES: CCN1C(=CC(=C1C)C(=O)COC2=CC=C(C=C2)S(=O)(=O)C)C
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Product OPENEYE NAME: 1-(4-ethoxyphenyl)-2-(4-methylsulfonylphenoxy)ethanone
CAS Name: 1-(4-ethoxyphenyl)-2-(4-methylsulfonylphenoxy)ethanone
IUPAC NAME: 1-(4-ethoxyphenyl)-2-(4-methylsulfonylphenoxy)ethanone
SYSTEMATIC NAME: 1-(4-ethoxyphenyl)-2-(4-methylsulfonylphenoxy)ethanone
MOLECULAR FORMULA: C17H18O5S
MOLECULAR WEIGHT: 334.38682
SMILES: CCOC1=CC=C(C=C1)C(=O)COC2=CC=C(C=C2)S(=O)(=O)C
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Product OPENEYE NAME: 1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-methylsulfonylphenoxy)ethanone
CAS Name: 1-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-(4-methylsulfonylphenoxy)ethanone
IUPAC NAME: 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(4-methylsulfonylphenoxy)ethanone
SYSTEMATIC NAME: 1-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-(4-methylsulfonylphenoxy)ethanone
MOLECULAR FORMULA: C18H23NO4S
MOLECULAR WEIGHT: 349.44452
SMILES: CC1=CC(=C(N1C(C)C)C)C(=O)COC2=CC=C(C=C2)S(=O)(=O)C
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Product OPENEYE NAME: 1-indan-5-yl-2-(4-methylsulfonylphenoxy)ethanone
CAS Name: 1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylsulfonylphenoxy)ethanone
IUPAC NAME: 1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylsulfonylphenoxy)ethanone
SYSTEMATIC NAME: 1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylsulfonylphenoxy)ethanone
MOLECULAR FORMULA: C18H18O4S
MOLECULAR WEIGHT: 330.39812
SMILES: CS(=O)(=O)C1=CC=C(C=C1)OCC(=O)C2=CC3=C(CCC3)C=C2
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Product OPENEYE NAME: 1-(3-methoxyphenyl)-2-(4-methylsulfonylphenoxy)ethanone
CAS Name: 1-(3-methoxyphenyl)-2-(4-methylsulfonylphenoxy)ethanone
IUPAC NAME: 1-(3-methoxyphenyl)-2-(4-methylsulfonylphenoxy)ethanone
SYSTEMATIC NAME: 1-(3-methoxyphenyl)-2-(4-methylsulfonylphenoxy)ethanone
MOLECULAR FORMULA: C16H16O5S
MOLECULAR WEIGHT: 320.36024
SMILES: COC1=CC=CC(=C1)C(=O)COC2=CC=C(C=C2)S(=O)(=O)C
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Product OPENEYE NAME: 1-(2,5-dimethylphenyl)-2-(4-methylsulfonylphenoxy)ethanone
CAS Name: 1-(2,5-dimethylphenyl)-2-(4-methylsulfonylphenoxy)ethanone
IUPAC NAME: 1-(2,5-dimethylphenyl)-2-(4-methylsulfonylphenoxy)ethanone
SYSTEMATIC NAME: 1-(2,5-dimethylphenyl)-2-(4-methylsulfonylphenoxy)ethanone
MOLECULAR FORMULA: C17H18O4S
MOLECULAR WEIGHT: 318.38742
SMILES: CC1=CC(=C(C=C1)C)C(=O)COC2=CC=C(C=C2)S(=O)(=O)C
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Product OPENEYE NAME: 1-(1H-indol-3-yl)-2-(4-methylsulfonylphenoxy)propan-1-one
CAS Name: 1-(1H-indol-3-yl)-2-(4-methylsulfonylphenoxy)-1-propanone
IUPAC NAME: 1-(1H-indol-3-yl)-2-(4-methylsulfonylphenoxy)propan-1-one
SYSTEMATIC NAME: 1-(1H-indol-3-yl)-2-(4-methylsulfonylphenoxy)propan-1-one
MOLECULAR FORMULA: C18H17NO4S
MOLECULAR WEIGHT: 343.39688
SMILES: CC(C(=O)C1=CNC2=CC=CC=C21)OC3=CC=C(C=C3)S(=O)(=O)C
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Product OPENEYE NAME: 1-[2-(4-methylsulfonylphenoxy)acetyl]imidazolidin-2-one
CAS Name: 1-[2-(4-methylsulfonylphenoxy)-1-oxoethyl]-2-imidazolidinone
IUPAC NAME: 1-[2-(4-methylsulfonylphenoxy)acetyl]imidazolidin-2-one
SYSTEMATIC NAME: 1-[2-(4-methylsulfonylphenoxy)ethanoyl]imidazolidin-2-one
MOLECULAR FORMULA: C12H14N2O5S
MOLECULAR WEIGHT: 298.31496
SMILES: CS(=O)(=O)C1=CC=C(C=C1)OCC(=O)N2CCNC2=O
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Product OPENEYE NAME: 1-(4-ethylphenyl)-2-(4-methylsulfonylphenoxy)ethanone
CAS Name: 1-(4-ethylphenyl)-2-(4-methylsulfonylphenoxy)ethanone
IUPAC NAME: 1-(4-ethylphenyl)-2-(4-methylsulfonylphenoxy)ethanone
SYSTEMATIC NAME: 1-(4-ethylphenyl)-2-(4-methylsulfonylphenoxy)ethanone
MOLECULAR FORMULA: C17H18O4S
MOLECULAR WEIGHT: 318.38742
SMILES: CCC1=CC=C(C=C1)C(=O)COC2=CC=C(C=C2)S(=O)(=O)C
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Product OPENEYE NAME: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylsulfonylphenoxy)ethanone
CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylsulfonylphenoxy)ethanone
IUPAC NAME: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylsulfonylphenoxy)ethanone
SYSTEMATIC NAME: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylsulfonylphenoxy)ethanone
MOLECULAR FORMULA: C17H16O6S
MOLECULAR WEIGHT: 348.37034
SMILES: CS(=O)(=O)C1=CC=C(C=C1)OCC(=O)C2=CC3=C(C=C2)OCCO3
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Product OPENEYE NAME: 1-(3,4-difluorophenyl)-2-(4-methylsulfonylphenoxy)ethanone
CAS Name: 1-(3,4-difluorophenyl)-2-(4-methylsulfonylphenoxy)ethanone
IUPAC NAME: 1-(3,4-difluorophenyl)-2-(4-methylsulfonylphenoxy)ethanone
SYSTEMATIC NAME: 1-[3,4-bis(fluoranyl)phenyl]-2-(4-methylsulfonylphenoxy)ethanone
MOLECULAR FORMULA: C15H12F2O4S
MOLECULAR WEIGHT: 326.315186
SMILES: CS(=O)(=O)C1=CC=C(C=C1)OCC(=O)C2=CC(=C(C=C2)F)F
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Product OPENEYE NAME: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-methylsulfonylphenoxy)ethanone
CAS Name: 1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-(4-methylsulfonylphenoxy)ethanone
IUPAC NAME: 1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(4-methylsulfonylphenoxy)ethanone
SYSTEMATIC NAME: 1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-(4-methylsulfonylphenoxy)ethanone
MOLECULAR FORMULA: C18H21NO4S
MOLECULAR WEIGHT: 347.42864
SMILES: CC1=CC(=C(N1CC=C)C)C(=O)COC2=CC=C(C=C2)S(=O)(=O)C
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Product OPENEYE NAME: 2-(4-methylsulfonylphenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CAS Name: 2-(4-methylsulfonylphenoxy)-1-(1,2,5-trimethyl-3-pyrrolyl)ethanone
IUPAC NAME: 2-(4-methylsulfonylphenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SYSTEMATIC NAME: 2-(4-methylsulfonylphenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
MOLECULAR FORMULA: C16H19NO4S
MOLECULAR WEIGHT: 321.39136
SMILES: CC1=CC(=C(N1C)C)C(=O)COC2=CC=C(C=C2)S(=O)(=O)C
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Product OPENEYE NAME: N-(methylcarbamoyl)-2-(4-methylsulfonylphenoxy)propanamide
CAS Name: N-(methylcarbamoyl)-2-(4-methylsulfonylphenoxy)propanamide
IUPAC NAME: N-(methylcarbamoyl)-2-(4-methylsulfonylphenoxy)propanamide
SYSTEMATIC NAME: N-(methylcarbamoyl)-2-(4-methylsulfonylphenoxy)propanamide
MOLECULAR FORMULA: C12H16N2O5S
MOLECULAR WEIGHT: 300.33084
SMILES: CC(C(=O)NC(=O)NC)OC1=CC=C(C=C1)S(=O)(=O)C
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Product OPENEYE NAME: N-carbamoyl-2-(4-methylsulfonylphenoxy)propanamide
CAS Name: N-carbamoyl-2-(4-methylsulfonylphenoxy)propanamide
IUPAC NAME: N-carbamoyl-2-(4-methylsulfonylphenoxy)propanamide
SYSTEMATIC NAME: N-aminocarbonyl-2-(4-methylsulfonylphenoxy)propanamide
MOLECULAR FORMULA: C11H14N2O5S
MOLECULAR WEIGHT: 286.30426
SMILES: CC(C(=O)NC(=O)N)OC1=CC=C(C=C1)S(=O)(=O)C
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Product OPENEYE NAME: 1-indolin-1-yl-2-(4-methylsulfonylphenoxy)propan-1-one
CAS Name: 1-(2,3-dihydroindol-1-yl)-2-(4-methylsulfonylphenoxy)-1-propanone
IUPAC NAME: 1-(2,3-dihydroindol-1-yl)-2-(4-methylsulfonylphenoxy)propan-1-one
SYSTEMATIC NAME: 1-(2,3-dihydroindol-1-yl)-2-(4-methylsulfonylphenoxy)propan-1-one
MOLECULAR FORMULA: C18H19NO4S
MOLECULAR WEIGHT: 345.41276
SMILES: CC(C(=O)N1CCC2=CC=CC=C21)OC3=CC=C(C=C3)S(=O)(=O)C
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Product OPENEYE NAME: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methylsulfonylphenoxy)ethanone
CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methylsulfonylphenoxy)ethanone
IUPAC NAME: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methylsulfonylphenoxy)ethanone
SYSTEMATIC NAME: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methylsulfonylphenoxy)ethanone
MOLECULAR FORMULA: C18H19NO4S
MOLECULAR WEIGHT: 345.41276
SMILES: CS(=O)(=O)C1=CC=C(C=C1)OCC(=O)N2CCC3=CC=CC=C3C2
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Product OPENEYE NAME: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-methylsulfonylphenoxy)ethanone
CAS Name: 1-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-(4-methylsulfonylphenoxy)ethanone
IUPAC NAME: 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(4-methylsulfonylphenoxy)ethanone
SYSTEMATIC NAME: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-methylsulfonylphenoxy)ethanone
MOLECULAR FORMULA: C18H21NO4S
MOLECULAR WEIGHT: 347.42864
SMILES: CC1=CC(=C(N1C2CC2)C)C(=O)COC3=CC=C(C=C3)S(=O)(=O)C
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Product OPENEYE NAME: N-(1-cyanocyclopentyl)-2-(4-methylsulfonylphenoxy)acetamide
CAS Name: N-(1-cyanocyclopentyl)-2-(4-methylsulfonylphenoxy)acetamide
IUPAC NAME: N-(1-cyanocyclopentyl)-2-(4-methylsulfonylphenoxy)acetamide
SYSTEMATIC NAME: N-(1-cyanocyclopentyl)-2-(4-methylsulfonylphenoxy)ethanamide
MOLECULAR FORMULA: C15H18N2O4S
MOLECULAR WEIGHT: 322.37942
SMILES: CS(=O)(=O)C1=CC=C(C=C1)OCC(=O)NC2(CCCC2)C#N
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