Monday, May 20, 2013

All Chemical Compounds Information



Product OPENEYE NAME: (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]propanamide
CAS Name: (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazin-1-iumyl]propanamide
IUPAC NAME: (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]propanamide
SYSTEMATIC NAME: (2S)-N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]propanamide
MOLECULAR FORMULA: C20H22ClF3N7O+
MOLECULAR WEIGHT: 468.88319
SMILES: C[C@@H](C(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl)[NH+]2CCN(CC2)C3=NC=NC4=C3C=NN4C
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Product OPENEYE NAME: (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide
CAS Name: (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]propanamide
IUPAC NAME: (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide
SYSTEMATIC NAME: (2S)-N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide
MOLECULAR FORMULA: C20H21ClF3N7O
MOLECULAR WEIGHT: 467.87525
SMILES: C[C@@H](C(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl)N2CCN(CC2)C3=NC=NC4=C3C=NN4C
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Product OPENEYE NAME: 4-[(2R)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]propanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one
CAS Name: 4-[(2R)-2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazin-1-iumyl]-1-oxopropyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one
IUPAC NAME: 4-[(2R)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]propanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one
SYSTEMATIC NAME: 4-[(2R)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]propanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one
MOLECULAR FORMULA: C22H24F3N8O2+
MOLECULAR WEIGHT: 489.47357
SMILES: C[C@H](C(=O)N1CC(=O)NC2=C1C=CC(=C2)C(F)(F)F)[NH+]3CCN(CC3)C4=NC=NC5=C4C=NN5C
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Product OPENEYE NAME: 4-[(2R)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one
CAS Name: 4-[(2R)-2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-1-oxopropyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one
IUPAC NAME: 4-[(2R)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one
SYSTEMATIC NAME: 4-[(2R)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one
MOLECULAR FORMULA: C22H23F3N8O2
MOLECULAR WEIGHT: 488.46563
SMILES: C[C@H](C(=O)N1CC(=O)NC2=C1C=CC(=C2)C(F)(F)F)N3CCN(CC3)C4=NC=NC5=C4C=NN5C
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Product OPENEYE NAME: 4-[(2S)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]propanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one
CAS Name: 4-[(2S)-2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazin-1-iumyl]-1-oxopropyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one
IUPAC NAME: 4-[(2S)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]propanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one
SYSTEMATIC NAME: 4-[(2S)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]propanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one
MOLECULAR FORMULA: C22H24F3N8O2+
MOLECULAR WEIGHT: 489.47357
SMILES: C[C@@H](C(=O)N1CC(=O)NC2=C1C=CC(=C2)C(F)(F)F)[NH+]3CCN(CC3)C4=NC=NC5=C4C=NN5C
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Product OPENEYE NAME: 4-[(2S)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one
CAS Name: 4-[(2S)-2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-1-oxopropyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one
IUPAC NAME: 4-[(2S)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one
SYSTEMATIC NAME: 4-[(2S)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one
MOLECULAR FORMULA: C22H23F3N8O2
MOLECULAR WEIGHT: 488.46563
SMILES: C[C@@H](C(=O)N1CC(=O)NC2=C1C=CC(=C2)C(F)(F)F)N3CCN(CC3)C4=NC=NC5=C4C=NN5C
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Product OPENEYE NAME: (2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]propanamide
CAS Name: (2R)-N-[(3R)-1,1-dioxo-3-thiolanyl]-N-ethyl-2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazin-1-iumyl]propanamide
IUPAC NAME: (2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]propanamide
SYSTEMATIC NAME: (2R)-N-[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-ethyl-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]propanamide
MOLECULAR FORMULA: C19H30N7O3S+
MOLECULAR WEIGHT: 436.5516
SMILES: CCN([C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H](C)[NH+]2CCN(CC2)C3=NC=NC4=C3C=NN4C
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Product OPENEYE NAME: (2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide
CAS Name: (2R)-N-[(3R)-1,1-dioxo-3-thiolanyl]-N-ethyl-2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]propanamide
IUPAC NAME: (2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide
SYSTEMATIC NAME: (2R)-N-[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-ethyl-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide
MOLECULAR FORMULA: C19H29N7O3S
MOLECULAR WEIGHT: 435.54366
SMILES: CCN([C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H](C)N2CCN(CC2)C3=NC=NC4=C3C=NN4C
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Product OPENEYE NAME: (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]propanamide
CAS Name: (2R)-N-[(3S)-1,1-dioxo-3-thiolanyl]-N-ethyl-2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazin-1-iumyl]propanamide
IUPAC NAME: (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]propanamide
SYSTEMATIC NAME: (2R)-N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-ethyl-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]propanamide
MOLECULAR FORMULA: C19H30N7O3S+
MOLECULAR WEIGHT: 436.5516
SMILES: CCN([C@H]1CCS(=O)(=O)C1)C(=O)[C@@H](C)[NH+]2CCN(CC2)C3=NC=NC4=C3C=NN4C
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Product OPENEYE NAME: (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide
CAS Name: (2R)-N-[(3S)-1,1-dioxo-3-thiolanyl]-N-ethyl-2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]propanamide
IUPAC NAME: (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide
SYSTEMATIC NAME: (2R)-N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-ethyl-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide
MOLECULAR FORMULA: C19H29N7O3S
MOLECULAR WEIGHT: 435.54366
SMILES: CCN([C@H]1CCS(=O)(=O)C1)C(=O)[C@@H](C)N2CCN(CC2)C3=NC=NC4=C3C=NN4C
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Product OPENEYE NAME: (2S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]propanamide
CAS Name: (2S)-N-[(3R)-1,1-dioxo-3-thiolanyl]-N-ethyl-2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazin-1-iumyl]propanamide
IUPAC NAME: (2S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]propanamide
SYSTEMATIC NAME: (2S)-N-[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-ethyl-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]propanamide
MOLECULAR FORMULA: C19H30N7O3S+
MOLECULAR WEIGHT: 436.5516
SMILES: CCN([C@@H]1CCS(=O)(=O)C1)C(=O)[C@H](C)[NH+]2CCN(CC2)C3=NC=NC4=C3C=NN4C
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Product OPENEYE NAME: (2S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide
CAS Name: (2S)-N-[(3R)-1,1-dioxo-3-thiolanyl]-N-ethyl-2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]propanamide
IUPAC NAME: (2S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide
SYSTEMATIC NAME: (2S)-N-[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-ethyl-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide
MOLECULAR FORMULA: C19H29N7O3S
MOLECULAR WEIGHT: 435.54366
SMILES: CCN([C@@H]1CCS(=O)(=O)C1)C(=O)[C@H](C)N2CCN(CC2)C3=NC=NC4=C3C=NN4C
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Product OPENEYE NAME: (2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]propanamide
CAS Name: (2S)-N-[(3S)-1,1-dioxo-3-thiolanyl]-N-ethyl-2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazin-1-iumyl]propanamide
IUPAC NAME: (2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]propanamide
SYSTEMATIC NAME: (2S)-N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-ethyl-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]propanamide
MOLECULAR FORMULA: C19H30N7O3S+
MOLECULAR WEIGHT: 436.5516
SMILES: CCN([C@H]1CCS(=O)(=O)C1)C(=O)[C@H](C)[NH+]2CCN(CC2)C3=NC=NC4=C3C=NN4C
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Product OPENEYE NAME: (2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide
CAS Name: (2S)-N-[(3S)-1,1-dioxo-3-thiolanyl]-N-ethyl-2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]propanamide
IUPAC NAME: (2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide
SYSTEMATIC NAME: (2S)-N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-ethyl-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide
MOLECULAR FORMULA: C19H29N7O3S
MOLECULAR WEIGHT: 435.54366
SMILES: CCN([C@H]1CCS(=O)(=O)C1)C(=O)[C@H](C)N2CCN(CC2)C3=NC=NC4=C3C=NN4C
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Product OPENEYE NAME: [4-[(3-methylbenzoyl)amino]phenyl] 2-oxo-1H-quinoline-3-carboxylate
CAS Name: 2-oxo-1H-quinoline-3-carboxylic acid [4-[[(3-methylphenyl)-oxomethyl]amino]phenyl] ester
IUPAC NAME: [4-[(3-methylbenzoyl)amino]phenyl] 2-oxo-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: [4-[(3-methylphenyl)carbonylamino]phenyl] 2-oxidanylidene-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C24H18N2O4
MOLECULAR WEIGHT: 398.41072
SMILES: CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)OC(=O)C3=CC4=CC=CC=C4NC3=O
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Product OPENEYE NAME: 7,8-dimethyl-4-[[4-(piperidine-1-carbonyl)piperazin-1-yl]methyl]chromen-2-one
CAS Name: 7,8-dimethyl-4-[[4-[oxo(1-piperidinyl)methyl]-1-piperazinyl]methyl]-1-benzopyran-2-one
IUPAC NAME: 7,8-dimethyl-4-[[4-(piperidine-1-carbonyl)piperazin-1-yl]methyl]chromen-2-one
SYSTEMATIC NAME: 7,8-dimethyl-4-[(4-piperidin-1-ylcarbonylpiperazin-1-yl)methyl]chromen-2-one
MOLECULAR FORMULA: C22H29N3O3
MOLECULAR WEIGHT: 383.48396
SMILES: CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)C(=O)N4CCCCC4)C
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