Thursday, June 20, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-[4-(3-bromophenyl)thiazol-2-yl]-N,N-dimethyl-acetamide
CAS Name: 2-[4-(3-bromophenyl)-2-thiazolyl]-N,N-dimethylacetamide
IUPAC NAME: 2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide
SYSTEMATIC NAME: 2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-N,N-dimethyl-ethanamide
MOLECULAR FORMULA: C13H13BrN2OS
MOLECULAR WEIGHT: 325.22412
SMILES: CN(C)C(=O)CC1=NC(=CS1)C2=CC(=CC=C2)Br
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Product OPENEYE NAME: 2-[4-(4-ethylphenyl)thiazol-2-yl]-N,N-dimethyl-acetamide
CAS Name: 2-[4-(4-ethylphenyl)-2-thiazolyl]-N,N-dimethylacetamide
IUPAC NAME: 2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide
SYSTEMATIC NAME: 2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-N,N-dimethyl-ethanamide
MOLECULAR FORMULA: C15H18N2OS
MOLECULAR WEIGHT: 274.38122
SMILES: CCC1=CC=C(C=C1)C2=CSC(=N2)CC(=O)N(C)C
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Product OPENEYE NAME: 2-tert-butyl-4-(2,5-difluorophenyl)thiazole
CAS Name: 2-tert-butyl-4-(2,5-difluorophenyl)thiazole
IUPAC NAME: 2-tert-butyl-4-(2,5-difluorophenyl)-1,3-thiazole
SYSTEMATIC NAME: 4-[2,5-bis(fluoranyl)phenyl]-2-tert-butyl-1,3-thiazole
MOLECULAR FORMULA: C13H13F2NS
MOLECULAR WEIGHT: 253.310826
SMILES: CC(C)(C)C1=NC(=CS1)C2=C(C=CC(=C2)F)F
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H20N2OS
MOLECULAR WEIGHT: 312.4292
SMILES: CC(C)(C)C1=NC(=CS1)C2=CC3=C4C(=C2)CCCN4C(=O)C3
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Product OPENEYE NAME: 4-(2-tert-butylthiazol-4-yl)benzene-1,2-diol
CAS Name: 4-(2-tert-butyl-4-thiazolyl)benzene-1,2-diol
IUPAC NAME: 4-(2-tert-butyl-1,3-thiazol-4-yl)benzene-1,2-diol
SYSTEMATIC NAME: 4-(2-tert-butyl-1,3-thiazol-4-yl)benzene-1,2-diol
MOLECULAR FORMULA: C13H15NO2S
MOLECULAR WEIGHT: 249.3287
SMILES: CC(C)(C)C1=NC(=CS1)C2=CC(=C(C=C2)O)O
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Product OPENEYE NAME: N-[[5-(2-tert-butylthiazol-4-yl)-2-furyl]methyl]acetamide
CAS Name: N-[[5-(2-tert-butyl-4-thiazolyl)-2-furanyl]methyl]acetamide
IUPAC NAME: N-[[5-(2-tert-butyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide
SYSTEMATIC NAME: N-[[5-(2-tert-butyl-1,3-thiazol-4-yl)furan-2-yl]methyl]ethanamide
MOLECULAR FORMULA: C14H18N2O2S
MOLECULAR WEIGHT: 278.36992
SMILES: CC(=O)NCC1=CC=C(O1)C2=CSC(=N2)C(C)(C)C
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Product OPENEYE NAME: 5-[(2S)-3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one
CAS Name: 5-[(2S)-3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-1-(2-nitrophenyl)-4-pyrazolo[3,4-d]pyrimidinone
IUPAC NAME: 5-[(2S)-3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one
SYSTEMATIC NAME: 5-[(2S)-3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one
MOLECULAR FORMULA: C25H27N5O5
MOLECULAR WEIGHT: 477.51238
SMILES: CC1=C(C=CC(=C1)C(C)(C)C)OC[C@H](CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4[N+](=O)[O-])O
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Product OPENEYE NAME: 5-[(2R)-3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one
CAS Name: 5-[(2R)-3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-1-(2-nitrophenyl)-4-pyrazolo[3,4-d]pyrimidinone
IUPAC NAME: 5-[(2R)-3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one
SYSTEMATIC NAME: 5-[(2R)-3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one
MOLECULAR FORMULA: C25H27N5O5
MOLECULAR WEIGHT: 477.51238
SMILES: CC1=C(C=CC(=C1)C(C)(C)C)OC[C@@H](CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4[N+](=O)[O-])O
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Product OPENEYE NAME: 5-[(2S)-3-(4-allyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one
CAS Name: 5-[(2S)-2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-1-(2-nitrophenyl)-4-pyrazolo[3,4-d]pyrimidinone
IUPAC NAME: 5-[(2S)-2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one
SYSTEMATIC NAME: 5-[(2S)-3-(2-methoxy-4-prop-2-enyl-phenoxy)-2-oxidanyl-propyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one
MOLECULAR FORMULA: C24H23N5O6
MOLECULAR WEIGHT: 477.46932
SMILES: COC1=C(C=CC(=C1)CC=C)OC[C@H](CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4[N+](=O)[O-])O
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Product OPENEYE NAME: 5-[(2R)-3-(4-allyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one
CAS Name: 5-[(2R)-2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-1-(2-nitrophenyl)-4-pyrazolo[3,4-d]pyrimidinone
IUPAC NAME: 5-[(2R)-2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one
SYSTEMATIC NAME: 5-[(2R)-3-(2-methoxy-4-prop-2-enyl-phenoxy)-2-oxidanyl-propyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one
MOLECULAR FORMULA: C24H23N5O6
MOLECULAR WEIGHT: 477.46932
SMILES: COC1=C(C=CC(=C1)CC=C)OC[C@@H](CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4[N+](=O)[O-])O
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Product OPENEYE NAME: 5-[(2S)-3-(4-ethylphenoxy)-2-hydroxy-propyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one
CAS Name: 5-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]-1-(2-nitrophenyl)-4-pyrazolo[3,4-d]pyrimidinone
IUPAC NAME: 5-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one
SYSTEMATIC NAME: 5-[(2S)-3-(4-ethylphenoxy)-2-oxidanyl-propyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one
MOLECULAR FORMULA: C22H21N5O5
MOLECULAR WEIGHT: 435.43264
SMILES: CCC1=CC=C(C=C1)OC[C@H](CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4[N+](=O)[O-])O
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Product OPENEYE NAME: 5-[(2R)-3-(4-ethylphenoxy)-2-hydroxy-propyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one
CAS Name: 5-[(2R)-3-(4-ethylphenoxy)-2-hydroxypropyl]-1-(2-nitrophenyl)-4-pyrazolo[3,4-d]pyrimidinone
IUPAC NAME: 5-[(2R)-3-(4-ethylphenoxy)-2-hydroxypropyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one
SYSTEMATIC NAME: 5-[(2R)-3-(4-ethylphenoxy)-2-oxidanyl-propyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one
MOLECULAR FORMULA: C22H21N5O5
MOLECULAR WEIGHT: 435.43264
SMILES: CCC1=CC=C(C=C1)OC[C@@H](CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4[N+](=O)[O-])O
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