Monday, July 1, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 4-[amino(trifluoromethyl)amino]-1-(o-tolyl)-1,3,5-triazin-2-one
CAS Name: 4-[amino(trifluoromethyl)amino]-1-(2-methylphenyl)-1,3,5-triazin-2-one
IUPAC NAME: 4-[amino(trifluoromethyl)amino]-1-(2-methylphenyl)-1,3,5-triazin-2-one
SYSTEMATIC NAME: 4-[azanyl(trifluoromethyl)amino]-1-(2-methylphenyl)-1,3,5-triazin-2-one
MOLECULAR FORMULA: C11H10F3N5O
MOLECULAR WEIGHT: 285.22521
SMILES: CC1=CC=CC=C1N2C=NC(=NC2=O)N(C(F)(F)F)N
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Product OPENEYE NAME: bicyclo[2.2.1]hepta-1,3,5-triene; 1-(3-chloro-2-pyridyl)-4-hydrazino-1,3,5-triazin-2-one
CAS Name: bicyclo[2.2.1]hepta-1,3,5-triene; 1-(3-chloro-2-pyridinyl)-4-hydrazinyl-1,3,5-triazin-2-one
IUPAC NAME: bicyclo[2.2.1]hepta-1,3,5-triene; 1-(3-chloropyridin-2-yl)-4-hydrazinyl-1,3,5-triazin-2-one
SYSTEMATIC NAME: bicyclo[2.2.1]hepta-1,3,5-triene; 1-(3-chloranylpyridin-2-yl)-4-diazanyl-1,3,5-triazin-2-one
MOLECULAR FORMULA: C15H13ClN6O
MOLECULAR WEIGHT: 328.75632
SMILES: C1C2=CC=C1C=C2.C1=CC(=C(N=C1)N2C=NC(=NC2=O)NN)Cl
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Product OPENEYE NAME: bicyclo[2.2.0]hexa-1(4),2,5-triene; 1-(3,4-dimethoxyphenyl)-4-hydrazino-6-methyl-1,3,5-triazin-2-one
CAS Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 1-(3,4-dimethoxyphenyl)-4-hydrazinyl-6-methyl-1,3,5-triazin-2-one
IUPAC NAME: bicyclo[2.2.0]hexa-1(4),2,5-triene; 1-(3,4-dimethoxyphenyl)-4-hydrazinyl-6-methyl-1,3,5-triazin-2-one
SYSTEMATIC NAME: bicyclo[2.2.0]hexa-1(4),2,5-triene; 4-diazanyl-1-(3,4-dimethoxyphenyl)-6-methyl-1,3,5-triazin-2-one
MOLECULAR FORMULA: C18H19N5O3
MOLECULAR WEIGHT: 353.37516
SMILES: CC1=NC(=NC(=O)N1C2=CC(=C(C=C2)OC)OC)NN.C1=CC2=C1C=C2
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Product OPENEYE NAME: 4-[amino(ethyl)amino]-1-(3-chlorophenyl)-6-methyl-1,3,5-triazin-2-one
CAS Name: 4-[amino(ethyl)amino]-1-(3-chlorophenyl)-6-methyl-1,3,5-triazin-2-one
IUPAC NAME: 4-[amino(ethyl)amino]-1-(3-chlorophenyl)-6-methyl-1,3,5-triazin-2-one
SYSTEMATIC NAME: 4-[azanyl(ethyl)amino]-1-(3-chlorophenyl)-6-methyl-1,3,5-triazin-2-one
MOLECULAR FORMULA: C12H14ClN5O
MOLECULAR WEIGHT: 279.72546
SMILES: CCN(C1=NC(=O)N(C(=N1)C)C2=CC(=CC=C2)Cl)N
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Product OPENEYE NAME: 4-[amino(prop-2-ynyl)amino]-1-(2,6-diethylphenyl)-6-ethyl-1,3,5-triazin-2-one
CAS Name: 4-[amino(prop-2-ynyl)amino]-1-(2,6-diethylphenyl)-6-ethyl-1,3,5-triazin-2-one
IUPAC NAME: 4-[amino(prop-2-ynyl)amino]-1-(2,6-diethylphenyl)-6-ethyl-1,3,5-triazin-2-one
SYSTEMATIC NAME: 4-[azanyl(prop-2-ynyl)amino]-1-(2,6-diethylphenyl)-6-ethyl-1,3,5-triazin-2-one
MOLECULAR FORMULA: C18H23N5O
MOLECULAR WEIGHT: 325.40812
SMILES: CCC1=C(C(=CC=C1)CC)N2C(=NC(=NC2=O)N(CC#C)N)CC
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Product OPENEYE NAME: 4-[amino(methyl)amino]-1-(2-pyridyl)-1,3,5-triazin-2-one
CAS Name: 4-[amino(methyl)amino]-1-(2-pyridinyl)-1,3,5-triazin-2-one
IUPAC NAME: 4-[amino(methyl)amino]-1-pyridin-2-yl-1,3,5-triazin-2-one
SYSTEMATIC NAME: 4-[azanyl(methyl)amino]-1-pyridin-2-yl-1,3,5-triazin-2-one
MOLECULAR FORMULA: C9H10N6O
MOLECULAR WEIGHT: 218.2153
SMILES: CN(C1=NC(=O)N(C=N1)C2=CC=CC=N2)N
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Product OPENEYE NAME: 4-[allyl(amino)amino]-6-ethyl-1-(2-ethylphenyl)-1,3,5-triazin-2-one
CAS Name: 4-[amino(prop-2-enyl)amino]-6-ethyl-1-(2-ethylphenyl)-1,3,5-triazin-2-one
IUPAC NAME: 4-[amino(prop-2-enyl)amino]-6-ethyl-1-(2-ethylphenyl)-1,3,5-triazin-2-one
SYSTEMATIC NAME: 4-[azanyl(prop-2-enyl)amino]-6-ethyl-1-(2-ethylphenyl)-1,3,5-triazin-2-one
MOLECULAR FORMULA: C16H21N5O
MOLECULAR WEIGHT: 299.37084
SMILES: CCC1=CC=CC=C1N2C(=NC(=NC2=O)N(CC=C)N)CC
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Product OPENEYE NAME: 4-[amino(prop-2-ynyl)amino]-1-(2,6-diethylphenyl)-6-methyl-1,3,5-triazin-2-one
CAS Name: 4-[amino(prop-2-ynyl)amino]-1-(2,6-diethylphenyl)-6-methyl-1,3,5-triazin-2-one
IUPAC NAME: 4-[amino(prop-2-ynyl)amino]-1-(2,6-diethylphenyl)-6-methyl-1,3,5-triazin-2-one
SYSTEMATIC NAME: 4-[azanyl(prop-2-ynyl)amino]-1-(2,6-diethylphenyl)-6-methyl-1,3,5-triazin-2-one
MOLECULAR FORMULA: C17H21N5O
MOLECULAR WEIGHT: 311.38154
SMILES: CCC1=C(C(=CC=C1)CC)N2C(=NC(=NC2=O)N(CC#C)N)C
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Product OPENEYE NAME: bicyclo[2.2.1]hepta-1,3,5-triene; 1-(3-chlorophenyl)-4-hydrazino-6-methyl-1,3,5-triazin-2-one
CAS Name: bicyclo[2.2.1]hepta-1,3,5-triene; 1-(3-chlorophenyl)-4-hydrazinyl-6-methyl-1,3,5-triazin-2-one
IUPAC NAME: bicyclo[2.2.1]hepta-1,3,5-triene; 1-(3-chlorophenyl)-4-hydrazinyl-6-methyl-1,3,5-triazin-2-one
SYSTEMATIC NAME: bicyclo[2.2.1]hepta-1,3,5-triene; 1-(3-chlorophenyl)-4-diazanyl-6-methyl-1,3,5-triazin-2-one
MOLECULAR FORMULA: C17H16ClN5O
MOLECULAR WEIGHT: 341.79484
SMILES: CC1=NC(=NC(=O)N1C2=CC(=CC=C2)Cl)NN.C1C2=CC=C1C=C2
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Product OPENEYE NAME: 4-[amino(prop-2-ynyl)amino]-6-methyl-1-phenyl-1,3,5-triazin-2-one
CAS Name: 4-[amino(prop-2-ynyl)amino]-6-methyl-1-phenyl-1,3,5-triazin-2-one
IUPAC NAME: 4-[amino(prop-2-ynyl)amino]-6-methyl-1-phenyl-1,3,5-triazin-2-one
SYSTEMATIC NAME: 4-[azanyl(prop-2-ynyl)amino]-6-methyl-1-phenyl-1,3,5-triazin-2-one
MOLECULAR FORMULA: C13H13N5O
MOLECULAR WEIGHT: 255.27522
SMILES: CC1=NC(=NC(=O)N1C2=CC=CC=C2)N(CC#C)N
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Product OPENEYE NAME: 4-[amino(4-pyridyl)amino]-1-(3,4-dimethoxyphenyl)-6-methyl-1,3,5-triazin-2-one
CAS Name: 4-[amino(pyridin-4-yl)amino]-1-(3,4-dimethoxyphenyl)-6-methyl-1,3,5-triazin-2-one
IUPAC NAME: 4-[amino(pyridin-4-yl)amino]-1-(3,4-dimethoxyphenyl)-6-methyl-1,3,5-triazin-2-one
SYSTEMATIC NAME: 4-[azanyl(pyridin-4-yl)amino]-1-(3,4-dimethoxyphenyl)-6-methyl-1,3,5-triazin-2-one
MOLECULAR FORMULA: C17H18N6O3
MOLECULAR WEIGHT: 354.36322
SMILES: CC1=NC(=NC(=O)N1C2=CC(=C(C=C2)OC)OC)N(C3=CC=NC=C3)N
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Product OPENEYE NAME: bicyclo[2.2.0]hexa-1(4),2,5-triene; 1-(3-chlorophenyl)-4-hydrazino-6-methyl-1,3,5-triazin-2-one
CAS Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 1-(3-chlorophenyl)-4-hydrazinyl-6-methyl-1,3,5-triazin-2-one
IUPAC NAME: bicyclo[2.2.0]hexa-1(4),2,5-triene; 1-(3-chlorophenyl)-4-hydrazinyl-6-methyl-1,3,5-triazin-2-one
SYSTEMATIC NAME: bicyclo[2.2.0]hexa-1(4),2,5-triene; 1-(3-chlorophenyl)-4-diazanyl-6-methyl-1,3,5-triazin-2-one
MOLECULAR FORMULA: C16H14ClN5O
MOLECULAR WEIGHT: 327.76826
SMILES: CC1=NC(=NC(=O)N1C2=CC(=CC=C2)Cl)NN.C1=CC2=C1C=C2
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Product OPENEYE NAME: 4-[amino(prop-2-ynyl)amino]-1-(2,6-dichlorophenyl)-6-ethyl-1,3,5-triazin-2-one
CAS Name: 4-[amino(prop-2-ynyl)amino]-1-(2,6-dichlorophenyl)-6-ethyl-1,3,5-triazin-2-one
IUPAC NAME: 4-[amino(prop-2-ynyl)amino]-1-(2,6-dichlorophenyl)-6-ethyl-1,3,5-triazin-2-one
SYSTEMATIC NAME: 4-[azanyl(prop-2-ynyl)amino]-1-[2,6-bis(chloranyl)phenyl]-6-ethyl-1,3,5-triazin-2-one
MOLECULAR FORMULA: C14H13Cl2N5O
MOLECULAR WEIGHT: 338.19192
SMILES: CCC1=NC(=NC(=O)N1C2=C(C=CC=C2Cl)Cl)N(CC#C)N
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Product OPENEYE NAME: 1-(oxiran-2-ylmethoxy)indolin-2-one
CAS Name: 1-(2-oxiranylmethoxy)-3H-indol-2-one
IUPAC NAME: 1-(oxiran-2-ylmethoxy)-3H-indol-2-one
SYSTEMATIC NAME: 1-(oxiran-2-ylmethoxy)-3H-indol-2-one
MOLECULAR FORMULA: C11H11NO3
MOLECULAR WEIGHT: 205.20994
SMILES: C1C(O1)CON2C(=O)CC3=CC=CC=C32
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Product OPENEYE NAME: 1,5-bis(oxiran-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-one
CAS Name: 1,5-bis(2-oxiranylmethyl)-4-pyrazolo[3,4-d]pyrimidinone
IUPAC NAME: 1,5-bis(oxiran-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-one
SYSTEMATIC NAME: 1,5-bis(oxiran-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-one
MOLECULAR FORMULA: C11H12N4O3
MOLECULAR WEIGHT: 248.23798
SMILES: C1C(O1)CN2C=NC3=C(C2=O)C=NN3CC4CO4
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Product OPENEYE NAME: 6-[(E)-3-(4-phenyl-1,2,3,6-tetrahydropyridin-6-yl)prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one
CAS Name: 6-[(E)-3-(4-phenyl-1,2,3,6-tetrahydropyridin-6-yl)prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one
IUPAC NAME: 6-[(E)-3-(4-phenyl-1,2,3,6-tetrahydropyridin-6-yl)prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one
SYSTEMATIC NAME: 6-[(E)-3-(4-phenyl-1,2,3,6-tetrahydropyridin-6-yl)prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one
MOLECULAR FORMULA: C23H24N2O
MOLECULAR WEIGHT: 344.44946
SMILES: C1CC(=O)NC2=C1C=C(C=C2)/C=C/CC3C=C(CCN3)C4=CC=CC=C4
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Product OPENEYE NAME: 1-allyl-6-[3-oxo-3-(4-phenyl-1-piperidyl)propyl]-3,4-dihydroquinolin-2-one hydrochloride
CAS Name: 6-[3-oxo-3-(4-phenyl-1-piperidinyl)propyl]-1-prop-2-enyl-3,4-dihydroquinolin-2-one hydrochloride
IUPAC NAME: 6-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]-1-prop-2-enyl-3,4-dihydroquinolin-2-one hydrochloride
SYSTEMATIC NAME: 6-[3-oxidanylidene-3-(4-phenylpiperidin-1-yl)propyl]-1-prop-2-enyl-3,4-dihydroquinolin-2-one hydrochloride
MOLECULAR FORMULA: C26H31ClN2O2
MOLECULAR WEIGHT: 438.98954
SMILES: C=CCN1C(=O)CCC2=C1C=CC(=C2)CCC(=O)N3CCC(CC3)C4=CC=CC=C4.Cl
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Product OPENEYE NAME: 1-allyl-6-[3-oxo-3-(4-phenyl-1-piperidyl)propyl]-3,4-dihydroquinolin-2-one
CAS Name: 6-[3-oxo-3-(4-phenyl-1-piperidinyl)propyl]-1-prop-2-enyl-3,4-dihydroquinolin-2-one
IUPAC NAME: 6-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]-1-prop-2-enyl-3,4-dihydroquinolin-2-one
SYSTEMATIC NAME: 6-[3-oxidanylidene-3-(4-phenylpiperidin-1-yl)propyl]-1-prop-2-enyl-3,4-dihydroquinolin-2-one
MOLECULAR FORMULA: C26H30N2O2
MOLECULAR WEIGHT: 402.5286
SMILES: C=CCN1C(=O)CCC2=C1C=CC(=C2)CCC(=O)N3CCC(CC3)C4=CC=CC=C4
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Product OPENEYE NAME: 1-[1-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one
CAS Name: 1-[1-hydroxy-3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]-3,4-dihydroquinolin-2-one
IUPAC NAME: 1-[1-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one
SYSTEMATIC NAME: 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxidanyl-propyl]-3,4-dihydroquinolin-2-one
MOLECULAR FORMULA: C23H29N3O3
MOLECULAR WEIGHT: 395.49466
SMILES: COC1=CC=CC=C1N2CCN(CC2)CCC(N3C(=O)CCC4=CC=CC=C43)O
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Product OPENEYE NAME: 1-[1-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydroquinolin-2-one
CAS Name: 1-[1-hydroxy-3-(4-phenyl-1-piperazinyl)propyl]-3,4-dihydroquinolin-2-one
IUPAC NAME: 1-[1-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydroquinolin-2-one
SYSTEMATIC NAME: 1-[1-oxidanyl-3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydroquinolin-2-one
MOLECULAR FORMULA: C22H27N3O2
MOLECULAR WEIGHT: 365.46868
SMILES: C1CC(=O)N(C2=CC=CC=C21)C(CCN3CCN(CC3)C4=CC=CC=C4)O
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