Thursday, February 28, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-[(3S)-3-methyl-1,1-dioxo-3-thiolanyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-[(3S)-3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C18H21N3O3S2
MOLECULAR WEIGHT: 391.50764
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N[C@]3(CCS(=O)(=O)C3)C
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Product OPENEYE NAME: [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: [2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C19H26N2O4
MOLECULAR WEIGHT: 346.42074
SMILES: CCOC1=CC=CC=C1CCC(=O)OCC(=O)N[C@@](C)(C#N)C(C)C
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Product OPENEYE NAME: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl ester
IUPAC NAME: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C17H16N2O4S
MOLECULAR WEIGHT: 344.38494
SMILES: COC1=CC=C(C=C1)CCC(=O)OCC2=NC(=NO2)C3=CSC=C3
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Product OPENEYE NAME: (2S)-N,N-dimethyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
CAS Name: (2S)-N,N-dimethyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide
IUPAC NAME: (2S)-N,N-dimethyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2S)-N,N-dimethyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
MOLECULAR FORMULA: C16H19N3OS
MOLECULAR WEIGHT: 301.40656
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@@H](C)C(=O)N(C)C
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Product OPENEYE NAME: (2R)-N,N-dimethyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
CAS Name: (2R)-N,N-dimethyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide
IUPAC NAME: (2R)-N,N-dimethyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2R)-N,N-dimethyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
MOLECULAR FORMULA: C16H19N3OS
MOLECULAR WEIGHT: 301.40656
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@H](C)C(=O)N(C)C
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Product OPENEYE NAME: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester
IUPAC NAME: (7,8-dimethyl-2-oxochromen-4-yl)methyl 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C23H24O5
MOLECULAR WEIGHT: 380.43366
SMILES: CCOC1=CC=CC=C1CCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3C)C
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Product OPENEYE NAME: N-ethyl-N-[(3-fluorophenyl)methyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-ethyl-N-[(3-fluorophenyl)methyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-ethyl-N-[(3-fluorophenyl)methyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-ethyl-N-[(3-fluorophenyl)methyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C22H22FN3OS
MOLECULAR WEIGHT: 395.492983
SMILES: CCN(CC1=CC(=CC=C1)F)C(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3
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Product OPENEYE NAME: [2-(methylcarbamoylamino)-2-oxo-ethyl] 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid [2-(methylcarbamoylamino)-2-oxoethyl] ester
IUPAC NAME: [2-(methylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: [2-(methylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C15H20N2O5
MOLECULAR WEIGHT: 308.3297
SMILES: CCOC1=CC=CC=C1CCC(=O)OCC(=O)NC(=O)NC
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Product OPENEYE NAME: [(1S)-2-(methoxycarbonylamino)-1-methyl-2-oxo-ethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate
CAS Name: 2-[(2-fluorophenyl)sulfonylamino]acetic acid [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[(2-fluorophenyl)sulfonylamino]acetate
SYSTEMATIC NAME: [(2S)-1-(methoxycarbonylamino)-1-oxidanylidene-propan-2-yl] 2-[(2-fluorophenyl)sulfonylamino]ethanoate
MOLECULAR FORMULA: C13H15FN2O7S
MOLECULAR WEIGHT: 362.330803
SMILES: C[C@@H](C(=O)NC(=O)OC)OC(=O)CNS(=O)(=O)C1=CC=CC=C1F
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Product OPENEYE NAME: (2S)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-1-morpholino-2-phenyl-ethanone
CAS Name: (2S)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-(4-morpholinyl)-2-phenylethanone
IUPAC NAME: (2S)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone
SYSTEMATIC NAME: (2S)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-1-morpholin-4-yl-2-phenyl-ethanone
MOLECULAR FORMULA: C23H23N3O2S
MOLECULAR WEIGHT: 405.51262
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@@H](C3=CC=CC=C3)C(=O)N4CCOCC4
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Product OPENEYE NAME: (2R)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-1-morpholino-2-phenyl-ethanone
CAS Name: (2R)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-(4-morpholinyl)-2-phenylethanone
IUPAC NAME: (2R)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone
SYSTEMATIC NAME: (2R)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-1-morpholin-4-yl-2-phenyl-ethanone
MOLECULAR FORMULA: C23H23N3O2S
MOLECULAR WEIGHT: 405.51262
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@H](C3=CC=CC=C3)C(=O)N4CCOCC4
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Product OPENEYE NAME: [(1R)-2-(methoxycarbonylamino)-1-methyl-2-oxo-ethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate
CAS Name: 2-[(2-fluorophenyl)sulfonylamino]acetic acid [(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[(2-fluorophenyl)sulfonylamino]acetate
SYSTEMATIC NAME: [(2R)-1-(methoxycarbonylamino)-1-oxidanylidene-propan-2-yl] 2-[(2-fluorophenyl)sulfonylamino]ethanoate
MOLECULAR FORMULA: C13H15FN2O7S
MOLECULAR WEIGHT: 362.330803
SMILES: C[C@H](C(=O)NC(=O)OC)OC(=O)CNS(=O)(=O)C1=CC=CC=C1F
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Product OPENEYE NAME: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester
IUPAC NAME: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C22H21ClO5
MOLECULAR WEIGHT: 400.85214
SMILES: CCOC1=CC=CC=C1CCC(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)Cl)C
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Product OPENEYE NAME: ethyl N-[2-[ethyl-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]amino]acetyl]carbamate
CAS Name: N-[2-[ethyl-[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-1-oxoethyl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[2-[ethyl-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]acetyl]carbamate
SYSTEMATIC NAME: ethyl N-[2-[ethyl-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoyl]amino]ethanoyl]carbamate
MOLECULAR FORMULA: C20H24N4O4S
MOLECULAR WEIGHT: 416.49396
SMILES: CCN(CC(=O)NC(=O)OCC)C(=O)CSC1=NC(=CC(=N1)C)C2=CC=CC=C2
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate
CAS Name: 2-[(2-fluorophenyl)sulfonylamino]acetic acid [(2S)-1-oxo-1-(2-oxo-1-imidazolidinyl)propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(2-fluorophenyl)sulfonylamino]acetate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-(2-oxidanylideneimidazolidin-1-yl)propan-2-yl] 2-[(2-fluorophenyl)sulfonylamino]ethanoate
MOLECULAR FORMULA: C14H16FN3O6S
MOLECULAR WEIGHT: 373.356743
SMILES: C[C@@H](C(=O)N1CCNC1=O)OC(=O)CNS(=O)(=O)C2=CC=CC=C2F
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Product OPENEYE NAME: N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-(3-thienylmethyl)acetamide
CAS Name: N-methyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-N-(3-thiophenylmethyl)acetamide
IUPAC NAME: N-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(thiophen-3-ylmethyl)acetamide
SYSTEMATIC NAME: N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-(thiophen-3-ylmethyl)ethanamide
MOLECULAR FORMULA: C19H19N3OS2
MOLECULAR WEIGHT: 369.50366
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N(C)CC3=CSC=C3
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Product OPENEYE NAME: N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C23H22FN3OS
MOLECULAR WEIGHT: 407.503683
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N(CC3=CC=CC=C3F)C4CC4
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Product OPENEYE NAME: [(1S)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid [(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: [(2S)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C21H22N2O4
MOLECULAR WEIGHT: 366.41038
SMILES: CCOC1=CC=CC=C1CCC(=O)O[C@@H](C)C(=O)NC2=CC=CC(=C2)C#N
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Product OPENEYE NAME: 3-(2-chlorophenyl)-5-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CAS Name: 3-(2-chlorophenyl)-5-[[(4-methyl-6-phenyl-2-pyrimidinyl)thio]methyl]-1,2,4-oxadiazole
IUPAC NAME: 3-(2-chlorophenyl)-5-[(4-methyl-6-phenylpyrimidin-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
SYSTEMATIC NAME: 3-(2-chlorophenyl)-5-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
MOLECULAR FORMULA: C20H15ClN4OS
MOLECULAR WEIGHT: 394.8773
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=NC(=NO3)C4=CC=CC=C4Cl
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Product OPENEYE NAME: [(1S)-2-(2-chloroanilino)-1-methyl-2-oxo-ethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate
CAS Name: 2-[(2-fluorophenyl)sulfonylamino]acetic acid [(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[(2-fluorophenyl)sulfonylamino]acetate
SYSTEMATIC NAME: [(2S)-1-[(2-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(2-fluorophenyl)sulfonylamino]ethanoate
MOLECULAR FORMULA: C17H16ClFN2O5S
MOLECULAR WEIGHT: 414.835743
SMILES: C[C@@H](C(=O)NC1=CC=CC=C1Cl)OC(=O)CNS(=O)(=O)C2=CC=CC=C2F
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