Tuesday, May 28, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethyl-quinolin-4-amine
CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethyl-4-quinolinamine
IUPAC NAME: N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylquinolin-4-amine
SYSTEMATIC NAME: N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethyl-quinolin-4-amine
MOLECULAR FORMULA: C20H22N2O2
MOLECULAR WEIGHT: 322.40088
SMILES: CC1=NC2=CC=CC=C2C(=C1)N(C)CC3=CC(=C(C=C3)OC)OC
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Product OPENEYE NAME: 3-methyl-1-[methyl(3-pyridylmethyl)amino]pyrido[1,2-a]benzimidazole-4-carbonitrile
CAS Name: 3-methyl-1-[methyl(3-pyridinylmethyl)amino]-4-pyrido[1,2-a]benzimidazolecarbonitrile
IUPAC NAME: 3-methyl-1-[methyl(pyridin-3-ylmethyl)amino]pyrido[1,2-a]benzimidazole-4-carbonitrile
SYSTEMATIC NAME: 3-methyl-1-[methyl(pyridin-3-ylmethyl)amino]pyrido[1,2-a]benzimidazole-4-carbonitrile
MOLECULAR FORMULA: C20H17N5
MOLECULAR WEIGHT: 327.38248
SMILES: CC1=C(C2=NC3=CC=CC=C3N2C(=C1)N(C)CC4=CN=CC=C4)C#N
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Product OPENEYE NAME: 5-[(2-methylquinolin-1-ium-4-yl)amino]-1,3-dihydrobenzimidazol-2-one
CAS Name: 5-[(2-methyl-4-quinolin-1-iumyl)amino]-1,3-dihydrobenzimidazol-2-one
IUPAC NAME: 5-[(2-methylquinolin-1-ium-4-yl)amino]-1,3-dihydrobenzimidazol-2-one
SYSTEMATIC NAME: 5-[(2-methylquinolin-1-ium-4-yl)amino]-1,3-dihydrobenzimidazol-2-one
MOLECULAR FORMULA: C17H15N4O+
MOLECULAR WEIGHT: 291.3272
SMILES: CC1=[NH+]C2=CC=CC=C2C(=C1)NC3=CC4=C(C=C3)NC(=O)N4
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Product OPENEYE NAME: 5-[(2-methyl-4-quinolyl)amino]-1,3-dihydrobenzimidazol-2-one
CAS Name: 5-[(2-methyl-4-quinolinyl)amino]-1,3-dihydrobenzimidazol-2-one
IUPAC NAME: 5-[(2-methylquinolin-4-yl)amino]-1,3-dihydrobenzimidazol-2-one
SYSTEMATIC NAME: 5-[(2-methylquinolin-4-yl)amino]-1,3-dihydrobenzimidazol-2-one
MOLECULAR FORMULA: C17H14N4O
MOLECULAR WEIGHT: 290.31926
SMILES: CC1=NC2=CC=CC=C2C(=C1)NC3=CC4=C(C=C3)NC(=O)N4
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Product OPENEYE NAME: 5-[[2-(trifluoromethyl)-4-quinolyl]amino]-1,3-dihydrobenzimidazol-2-one
CAS Name: 5-[[2-(trifluoromethyl)-4-quinolinyl]amino]-1,3-dihydrobenzimidazol-2-one
IUPAC NAME: 5-[[2-(trifluoromethyl)quinolin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one
SYSTEMATIC NAME: 5-[[2-(trifluoromethyl)quinolin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one
MOLECULAR FORMULA: C17H11F3N4O
MOLECULAR WEIGHT: 344.29065
SMILES: C1=CC=C2C(=C1)C(=CC(=N2)C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)N4
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Product OPENEYE NAME: 7-[[(4R)-chroman-4-yl]amino]-6-nitro-1H-quinazolin-4-one
CAS Name: 7-[[(4R)-3,4-dihydro-2H-1-benzopyran-4-yl]amino]-6-nitro-1H-quinazolin-4-one
IUPAC NAME: 7-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-6-nitro-1H-quinazolin-4-one
SYSTEMATIC NAME: 7-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-6-nitro-1H-quinazolin-4-one
MOLECULAR FORMULA: C17H14N4O4
MOLECULAR WEIGHT: 338.31746
SMILES: C1COC2=CC=CC=C2[C@@H]1NC3=C(C=C4C(=C3)NC=NC4=O)[N+](=O)[O-]
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Product OPENEYE NAME: 7-[[(4S)-chroman-4-yl]amino]-6-nitro-1H-quinazolin-4-one
CAS Name: 7-[[(4S)-3,4-dihydro-2H-1-benzopyran-4-yl]amino]-6-nitro-1H-quinazolin-4-one
IUPAC NAME: 7-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-6-nitro-1H-quinazolin-4-one
SYSTEMATIC NAME: 7-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-6-nitro-1H-quinazolin-4-one
MOLECULAR FORMULA: C17H14N4O4
MOLECULAR WEIGHT: 338.31746
SMILES: C1COC2=CC=CC=C2[C@H]1NC3=C(C=C4C(=C3)NC=NC4=O)[N+](=O)[O-]
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Product OPENEYE NAME: 2-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]quinolin-1-ium-4-amine
CAS Name: 2-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]-4-quinolin-1-iumamine
IUPAC NAME: 2-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]quinolin-1-ium-4-amine
SYSTEMATIC NAME: 2-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]quinolin-1-ium-4-amine
MOLECULAR FORMULA: C20H23N2O3+
MOLECULAR WEIGHT: 339.40822
SMILES: CC1=[NH+]C2=CC=CC=C2C(=C1)NCC3=CC(=C(C=C3OC)OC)OC
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Product OPENEYE NAME: 2-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]quinolin-4-amine
CAS Name: 2-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]-4-quinolinamine
IUPAC NAME: 2-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]quinolin-4-amine
SYSTEMATIC NAME: 2-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]quinolin-4-amine
MOLECULAR FORMULA: C20H22N2O3
MOLECULAR WEIGHT: 338.40028
SMILES: CC1=NC2=CC=CC=C2C(=C1)NCC3=CC(=C(C=C3OC)OC)OC
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Product OPENEYE NAME: N,2-dimethyl-N-[(2-morpholinophenyl)methyl]quinolin-1-ium-4-amine
CAS Name: N,2-dimethyl-N-[[2-(4-morpholinyl)phenyl]methyl]-4-quinolin-1-iumamine
IUPAC NAME: N,2-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]quinolin-1-ium-4-amine
SYSTEMATIC NAME: N,2-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]quinolin-1-ium-4-amine
MOLECULAR FORMULA: C22H26N3O+
MOLECULAR WEIGHT: 348.46134
SMILES: CC1=[NH+]C2=CC=CC=C2C(=C1)N(C)CC3=CC=CC=C3N4CCOCC4
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Product OPENEYE NAME: N,2-dimethyl-N-[(2-morpholinophenyl)methyl]quinolin-4-amine
CAS Name: N,2-dimethyl-N-[[2-(4-morpholinyl)phenyl]methyl]-4-quinolinamine
IUPAC NAME: N,2-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]quinolin-4-amine
SYSTEMATIC NAME: N,2-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]quinolin-4-amine
MOLECULAR FORMULA: C22H25N3O
MOLECULAR WEIGHT: 347.4534
SMILES: CC1=NC2=CC=CC=C2C(=C1)N(C)CC3=CC=CC=C3N4CCOCC4
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Product OPENEYE NAME: N-isopropyl-1-[2-[[(2-methylquinolin-1-ium-4-yl)amino]methyl]phenyl]methanesulfonamide
CAS Name: 1-[2-[[(2-methyl-4-quinolin-1-iumyl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide
IUPAC NAME: 1-[2-[[(2-methylquinolin-1-ium-4-yl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide
SYSTEMATIC NAME: 1-[2-[[(2-methylquinolin-1-ium-4-yl)amino]methyl]phenyl]-N-propan-2-yl-methanesulfonamide
MOLECULAR FORMULA: C21H26N3O2S+
MOLECULAR WEIGHT: 384.51504
SMILES: CC1=[NH+]C2=CC=CC=C2C(=C1)NCC3=CC=CC=C3CS(=O)(=O)NC(C)C
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Product OPENEYE NAME: N-isopropyl-1-[2-[[(2-methyl-4-quinolyl)amino]methyl]phenyl]methanesulfonamide
CAS Name: 1-[2-[[(2-methyl-4-quinolinyl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide
IUPAC NAME: 1-[2-[[(2-methylquinolin-4-yl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide
SYSTEMATIC NAME: 1-[2-[[(2-methylquinolin-4-yl)amino]methyl]phenyl]-N-propan-2-yl-methanesulfonamide
MOLECULAR FORMULA: C21H25N3O2S
MOLECULAR WEIGHT: 383.5071
SMILES: CC1=NC2=CC=CC=C2C(=C1)NCC3=CC=CC=C3CS(=O)(=O)NC(C)C
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Product OPENEYE NAME: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-amine
CAS Name: N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-pyrimidinamine
IUPAC NAME: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine
SYSTEMATIC NAME: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-amine
MOLECULAR FORMULA: C15H15N5
MOLECULAR WEIGHT: 265.3131
SMILES: CC1=C(C(=NN1C2=CC=CC=C2)C)NC3=NC=CC=N3
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Product OPENEYE NAME: N-(4-chloro-2-nitro-phenyl)-1-methylsulfonyl-piperidin-4-amine
CAS Name: N-(4-chloro-2-nitrophenyl)-1-methylsulfonyl-4-piperidinamine
IUPAC NAME: N-(4-chloro-2-nitrophenyl)-1-methylsulfonylpiperidin-4-amine
SYSTEMATIC NAME: N-(4-chloranyl-2-nitro-phenyl)-1-methylsulfonyl-piperidin-4-amine
MOLECULAR FORMULA: C12H16ClN3O4S
MOLECULAR WEIGHT: 333.79114
SMILES: CS(=O)(=O)N1CCC(CC1)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: N-(1-methylsulfonyl-4-piperidyl)-2-(morpholinomethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-amine
CAS Name: N-(1-methylsulfonyl-4-piperidinyl)-2-(4-morpholinylmethyl)-5-phenyl-4-thieno[2,3-d]pyrimidinamine
IUPAC NAME: N-(1-methylsulfonylpiperidin-4-yl)-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SYSTEMATIC NAME: N-(1-methylsulfonylpiperidin-4-yl)-2-(morpholin-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-amine
MOLECULAR FORMULA: C23H29N5O3S2
MOLECULAR WEIGHT: 487.63806
SMILES: CS(=O)(=O)N1CCC(CC1)NC2=C3C(=CSC3=NC(=N2)CN4CCOCC4)C5=CC=CC=C5
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Product OPENEYE NAME: 6-(4-fluorophenyl)-N-(1-methylsulfonyl-4-piperidyl)thieno[3,2-d]pyrimidin-4-amine
CAS Name: 6-(4-fluorophenyl)-N-(1-methylsulfonyl-4-piperidinyl)-4-thieno[3,2-d]pyrimidinamine
IUPAC NAME: 6-(4-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)thieno[3,2-d]pyrimidin-4-amine
SYSTEMATIC NAME: 6-(4-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)thieno[3,2-d]pyrimidin-4-amine
MOLECULAR FORMULA: C18H19FN4O2S2
MOLECULAR WEIGHT: 406.497463
SMILES: CS(=O)(=O)N1CCC(CC1)NC2=NC=NC3=C2SC(=C3)C4=CC=C(C=C4)F
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Product OPENEYE NAME: [3-[(3-chlorophenyl)sulfonylamino]quinoxalin-2-yl]-(1-methylsulfonyl-4-piperidyl)azanide
CAS Name: [3-[(3-chlorophenyl)sulfonylamino]-2-quinoxalinyl]-(1-methylsulfonyl-4-piperidinyl)azanide
IUPAC NAME: [3-[(3-chlorophenyl)sulfonylamino]quinoxalin-2-yl]-(1-methylsulfonylpiperidin-4-yl)azanide
SYSTEMATIC NAME: [3-[(3-chlorophenyl)sulfonylamino]quinoxalin-2-yl]-(1-methylsulfonylpiperidin-4-yl)azanide
MOLECULAR FORMULA: C20H21ClN5O4S2-
MOLECULAR WEIGHT: 494.99484
SMILES: CS(=O)(=O)N1CCC(CC1)[N-]C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC(=CC=C4)Cl
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Product OPENEYE NAME: 3-chloro-N-[3-[(1-methylsulfonyl-4-piperidyl)amino]quinoxalin-2-yl]benzenesulfonamide
CAS Name: 3-chloro-N-[3-[(1-methylsulfonyl-4-piperidinyl)amino]-2-quinoxalinyl]benzenesulfonamide
IUPAC NAME: 3-chloro-N-[3-[(1-methylsulfonylpiperidin-4-yl)amino]quinoxalin-2-yl]benzenesulfonamide
SYSTEMATIC NAME: 3-chloranyl-N-[3-[(1-methylsulfonylpiperidin-4-yl)amino]quinoxalin-2-yl]benzenesulfonamide
MOLECULAR FORMULA: C20H22ClN5O4S2
MOLECULAR WEIGHT: 496.00278
SMILES: CS(=O)(=O)N1CCC(CC1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC(=CC=C4)Cl
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Product OPENEYE NAME: 6-[ethyl-[(3-fluorophenyl)methyl]amino]-N-isopropyl-pyridine-3-sulfonamide
CAS Name: 6-[ethyl-[(3-fluorophenyl)methyl]amino]-N-propan-2-yl-3-pyridinesulfonamide
IUPAC NAME: 6-[ethyl-[(3-fluorophenyl)methyl]amino]-N-propan-2-ylpyridine-3-sulfonamide
SYSTEMATIC NAME: 6-[ethyl-[(3-fluorophenyl)methyl]amino]-N-propan-2-yl-pyridine-3-sulfonamide
MOLECULAR FORMULA: C17H22FN3O2S
MOLECULAR WEIGHT: 351.438883
SMILES: CCN(CC1=CC(=CC=C1)F)C2=NC=C(C=C2)S(=O)(=O)NC(C)C
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Product OPENEYE NAME: dimethyl-[(1R)-2-methyl-1-[[[(7R)-7-methyl-2-(morpholinomethyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]amino]methyl]propyl]ammonium
CAS Name: dimethyl-[(2R)-3-methyl-1-[[(7R)-7-methyl-2-(4-morpholinylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]butan-2-yl]ammonium
IUPAC NAME: dimethyl-[(2R)-3-methyl-1-[[(7R)-7-methyl-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]butan-2-yl]azanium
SYSTEMATIC NAME: dimethyl-[(2R)-3-methyl-1-[[(7R)-7-methyl-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]butan-2-yl]azanium
MOLECULAR FORMULA: C23H38N5OS+
MOLECULAR WEIGHT: 432.64572
SMILES: C[C@@H]1CCC2=C(C1)SC3=NC(=NC(=C23)NC[C@@H](C(C)C)[NH+](C)C)CN4CCOCC4
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Product OPENEYE NAME: (2R)-N2,N2,3-trimethyl-N1-[(7R)-7-methyl-2-(morpholinomethyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]butane-1,2-diamine
CAS Name: (2R)-N2,N2,3-trimethyl-N1-[(7R)-7-methyl-2-(4-morpholinylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]butane-1,2-diamine
IUPAC NAME: (2R)-2-N,2-N,3-trimethyl-1-N-[(7R)-7-methyl-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]butane-1,2-diamine
SYSTEMATIC NAME: (2R)-N2,N2,3-trimethyl-N1-[(7R)-7-methyl-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]butane-1,2-diamine
MOLECULAR FORMULA: C23H37N5OS
MOLECULAR WEIGHT: 431.63778
SMILES: C[C@@H]1CCC2=C(C1)SC3=NC(=NC(=C23)NC[C@@H](C(C)C)N(C)C)CN4CCOCC4
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Product OPENEYE NAME: dimethyl-[(1R)-2-methyl-1-[[[(7S)-7-methyl-2-(morpholinomethyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]amino]methyl]propyl]ammonium
CAS Name: dimethyl-[(2R)-3-methyl-1-[[(7S)-7-methyl-2-(4-morpholinylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]butan-2-yl]ammonium
IUPAC NAME: dimethyl-[(2R)-3-methyl-1-[[(7S)-7-methyl-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]butan-2-yl]azanium
SYSTEMATIC NAME: dimethyl-[(2R)-3-methyl-1-[[(7S)-7-methyl-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]butan-2-yl]azanium
MOLECULAR FORMULA: C23H38N5OS+
MOLECULAR WEIGHT: 432.64572
SMILES: C[C@H]1CCC2=C(C1)SC3=NC(=NC(=C23)NC[C@@H](C(C)C)[NH+](C)C)CN4CCOCC4
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