Saturday, January 5, 2013

All Chemical Compounds Information



Product OPENEYE NAME: N-[4-[[(2S)-2-[3-(4-aminopyrimidin-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]phenyl]acetamide
CAS Name: N-[4-[[(2S)-2-[3-(4-amino-5-pyrimidinyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidinyl]methyl]phenyl]acetamide
IUPAC NAME: N-[4-[[(2S)-2-[3-(4-aminopyrimidin-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]phenyl]acetamide
SYSTEMATIC NAME: N-[4-[[(2S)-2-[3-(4-azanylpyrimidin-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]phenyl]ethanamide
MOLECULAR FORMULA: C19H21N7O2
MOLECULAR WEIGHT: 379.41574
SMILES: CC(=O)NC1=CC=C(C=C1)CN2CCC[C@H]2C3=NC(=NO3)C4=CN=CN=C4N
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Product OPENEYE NAME: 5-[5-[(2S)-1-[(1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
CAS Name: 5-[5-[(2S)-1-[(1-methyl-3-indolyl)methyl]-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl]-4-pyrimidinamine
IUPAC NAME: 5-[5-[(2S)-1-[(1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
SYSTEMATIC NAME: 5-[5-[(2S)-1-[(1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
MOLECULAR FORMULA: C20H21N7O
MOLECULAR WEIGHT: 375.42704
SMILES: CN1C=C(C2=CC=CC=C21)CN3CCC[C@H]3C4=NC(=NO4)C5=CN=CN=C5N
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Product OPENEYE NAME: 5-[5-[(2S)-1-(benzofuran-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
CAS Name: 5-[5-[(2S)-1-(2-benzofuranylmethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl]-4-pyrimidinamine
IUPAC NAME: 5-[5-[(2S)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
SYSTEMATIC NAME: 5-[5-[(2S)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
MOLECULAR FORMULA: C19H18N6O2
MOLECULAR WEIGHT: 362.38522
SMILES: C1C[C@H](N(C1)CC2=CC3=CC=CC=C3O2)C4=NC(=NO4)C5=CN=CN=C5N
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Product OPENEYE NAME: 5-[5-[(2S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
CAS Name: 5-[5-[(2S)-1-(1H-imidazol-2-ylmethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl]-4-pyrimidinamine
IUPAC NAME: 5-[5-[(2S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
SYSTEMATIC NAME: 5-[5-[(2S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
MOLECULAR FORMULA: C14H16N8O
MOLECULAR WEIGHT: 312.32984
SMILES: C1C[C@H](N(C1)CC2=NC=CN2)C3=NC(=NO3)C4=CN=CN=C4N
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Product OPENEYE NAME: 5-[5-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
CAS Name: 5-[5-[(2S)-1-(cyclopropylmethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl]-4-pyrimidinamine
IUPAC NAME: 5-[5-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
SYSTEMATIC NAME: 5-[5-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
MOLECULAR FORMULA: C14H18N6O
MOLECULAR WEIGHT: 286.33232
SMILES: C1C[C@H](N(C1)CC2CC2)C3=NC(=NO3)C4=CN=CN=C4N
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Product OPENEYE NAME: 2-[[(2S)-2-[3-(4-aminopyrimidin-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]-5-methoxy-phenol
CAS Name: 2-[[(2S)-2-[3-(4-amino-5-pyrimidinyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidinyl]methyl]-5-methoxyphenol
IUPAC NAME: 2-[[(2S)-2-[3-(4-aminopyrimidin-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]-5-methoxyphenol
SYSTEMATIC NAME: 2-[[(2S)-2-[3-(4-azanylpyrimidin-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]-5-methoxy-phenol
MOLECULAR FORMULA: C18H20N6O3
MOLECULAR WEIGHT: 368.3898
SMILES: COC1=CC(=C(C=C1)CN2CCC[C@H]2C3=NC(=NO3)C4=CN=CN=C4N)O
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Product OPENEYE NAME: 5-[5-[(2S)-1-cyclobutylpyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
CAS Name: 5-[5-[(2S)-1-cyclobutyl-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl]-4-pyrimidinamine
IUPAC NAME: 5-[5-[(2S)-1-cyclobutylpyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
SYSTEMATIC NAME: 5-[5-[(2S)-1-cyclobutylpyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
MOLECULAR FORMULA: C14H18N6O
MOLECULAR WEIGHT: 286.33232
SMILES: C1C[C@H](N(C1)C2CCC2)C3=NC(=NO3)C4=CN=CN=C4N
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Product OPENEYE NAME: 5-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
CAS Name: 5-[5-[(2S)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl]-4-pyrimidinamine
IUPAC NAME: 5-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
SYSTEMATIC NAME: 5-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
MOLECULAR FORMULA: C10H12N6O
MOLECULAR WEIGHT: 232.24188
SMILES: C1C[C@H](NC1)C2=NC(=NO2)C3=CN=CN=C3N
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Product OPENEYE NAME: 5-[5-[(2S)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
CAS Name: 5-[5-[(2S)-1-[(4-methylsulfonylphenyl)methyl]-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl]-4-pyrimidinamine
IUPAC NAME: 5-[5-[(2S)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
SYSTEMATIC NAME: 5-[5-[(2S)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
MOLECULAR FORMULA: C18H20N6O3S
MOLECULAR WEIGHT: 400.4548
SMILES: CS(=O)(=O)C1=CC=C(C=C1)CN2CCC[C@H]2C3=NC(=NO3)C4=CN=CN=C4N
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Product OPENEYE NAME: 5-[5-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
CAS Name: 5-[5-[(2S)-1-(2-pyrimidinyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl]-4-pyrimidinamine
IUPAC NAME: 5-[5-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
SYSTEMATIC NAME: 5-[5-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
MOLECULAR FORMULA: C14H14N8O
MOLECULAR WEIGHT: 310.31396
SMILES: C1C[C@H](N(C1)C2=NC=CC=N2)C3=NC(=NO3)C4=CN=CN=C4N
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Product OPENEYE NAME: 1-[4-[(2S)-2-[3-[6-(methylamino)-3-pyridyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-1-piperidyl]ethanone
CAS Name: 1-[4-[(2S)-2-[3-[6-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-1-pyrrolidinyl]-1-piperidinyl]ethanone
IUPAC NAME: 1-[4-[(2S)-2-[3-[6-(methylamino)pyridin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
SYSTEMATIC NAME: 1-[4-[(2S)-2-[3-[6-(methylamino)pyridin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
MOLECULAR FORMULA: C19H26N6O2
MOLECULAR WEIGHT: 370.44874
SMILES: CC(=O)N1CCC(CC1)N2CCC[C@H]2C3=NC(=NO3)C4=CN=C(C=C4)NC
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Product OPENEYE NAME: 5-[5-[(2S)-1-benzylpyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-methyl-pyridin-2-amine
CAS Name: N-methyl-5-[5-[(2S)-1-(phenylmethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl]-2-pyridinamine
IUPAC NAME: 5-[5-[(2S)-1-benzylpyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine
SYSTEMATIC NAME: N-methyl-5-[5-[(2S)-1-(phenylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
MOLECULAR FORMULA: C19H21N5O
MOLECULAR WEIGHT: 335.40294
SMILES: CNC1=NC=C(C=C1)C2=NOC(=N2)[C@@H]3CCCN3CC4=CC=CC=C4
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Product OPENEYE NAME: 4-[[(2S)-2-[3-[6-(methylamino)-3-pyridyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]benzoic acid
CAS Name: 4-[[(2S)-2-[3-[6-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-1-pyrrolidinyl]methyl]benzoic acid
IUPAC NAME: 4-[[(2S)-2-[3-[6-(methylamino)pyridin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]benzoic acid
SYSTEMATIC NAME: 4-[[(2S)-2-[3-[6-(methylamino)pyridin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]benzoic acid
MOLECULAR FORMULA: C20H21N5O3
MOLECULAR WEIGHT: 379.41244
SMILES: CNC1=NC=C(C=C1)C2=NOC(=N2)[C@@H]3CCCN3CC4=CC=C(C=C4)C(=O)O
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Product OPENEYE NAME: N-methyl-5-[5-[(2S)-1-(3-quinolylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
CAS Name: N-methyl-5-[5-[(2S)-1-(3-quinolinylmethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl]-2-pyridinamine
IUPAC NAME: N-methyl-5-[5-[(2S)-1-(quinolin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SYSTEMATIC NAME: N-methyl-5-[5-[(2S)-1-(quinolin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
MOLECULAR FORMULA: C22H22N6O
MOLECULAR WEIGHT: 386.44968
SMILES: CNC1=NC=C(C=C1)C2=NOC(=N2)[C@@H]3CCCN3CC4=CC5=CC=CC=C5N=C4
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Product OPENEYE NAME: 5-[5-[(2S)-1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-methyl-pyridin-2-amine
CAS Name: 5-[5-[(2S)-1-[(4-chlorophenyl)methyl]-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl]-N-methyl-2-pyridinamine
IUPAC NAME: 5-[5-[(2S)-1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine
SYSTEMATIC NAME: 5-[5-[(2S)-1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-methyl-pyridin-2-amine
MOLECULAR FORMULA: C19H20ClN5O
MOLECULAR WEIGHT: 369.848
SMILES: CNC1=NC=C(C=C1)C2=NOC(=N2)[C@@H]3CCCN3CC4=CC=C(C=C4)Cl
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Product OPENEYE NAME: 3-[[(2S)-2-[3-[6-(methylamino)-3-pyridyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]benzonitrile
CAS Name: 3-[[(2S)-2-[3-[6-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-1-pyrrolidinyl]methyl]benzonitrile
IUPAC NAME: 3-[[(2S)-2-[3-[6-(methylamino)pyridin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]benzonitrile
SYSTEMATIC NAME: 3-[[(2S)-2-[3-[6-(methylamino)pyridin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]benzenecarbonitrile
MOLECULAR FORMULA: C20H20N6O
MOLECULAR WEIGHT: 360.4124
SMILES: CNC1=NC=C(C=C1)C2=NOC(=N2)[C@@H]3CCCN3CC4=CC=CC(=C4)C#N
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Product OPENEYE NAME: 5-[5-[(2S)-1-cyclohexylpyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-methyl-pyridin-2-amine
CAS Name: 5-[5-[(2S)-1-cyclohexyl-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl]-N-methyl-2-pyridinamine
IUPAC NAME: 5-[5-[(2S)-1-cyclohexylpyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine
SYSTEMATIC NAME: 5-[5-[(2S)-1-cyclohexylpyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-methyl-pyridin-2-amine
MOLECULAR FORMULA: C18H25N5O
MOLECULAR WEIGHT: 327.424
SMILES: CNC1=NC=C(C=C1)C2=NOC(=N2)[C@@H]3CCCN3C4CCCCC4
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Product OPENEYE NAME: 5-[5-[(2S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-methyl-pyridin-2-amine
CAS Name: 5-[5-[(2S)-1-[(3,4-difluorophenyl)methyl]-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl]-N-methyl-2-pyridinamine
IUPAC NAME: 5-[5-[(2S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine
SYSTEMATIC NAME: 5-[5-[(2S)-1-[[3,4-bis(fluoranyl)phenyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-methyl-pyridin-2-amine
MOLECULAR FORMULA: C19H19F2N5O
MOLECULAR WEIGHT: 371.383866
SMILES: CNC1=NC=C(C=C1)C2=NOC(=N2)[C@@H]3CCCN3CC4=CC(=C(C=C4)F)F
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Product OPENEYE NAME: 5-[5-[(2S)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-methyl-pyridin-2-amine
CAS Name: 5-[5-[(2S)-1-[(2-fluorophenyl)methyl]-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl]-N-methyl-2-pyridinamine
IUPAC NAME: 5-[5-[(2S)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine
SYSTEMATIC NAME: 5-[5-[(2S)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-methyl-pyridin-2-amine
MOLECULAR FORMULA: C19H20FN5O
MOLECULAR WEIGHT: 353.393403
SMILES: CNC1=NC=C(C=C1)C2=NOC(=N2)[C@@H]3CCCN3CC4=CC=CC=C4F
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