8-methyl-2-(2-methylphenyl)-3-[[methyl(7H-purin-6-yl)amino]methyl]isoquinolin-1-one

Systemtic Name: 8-methyl-2-(2-methylphenyl)-3-[[methyl(7H-purin-6-yl)amino]methyl]isoquinolin-1-one Openeye Name: 8-methyl-3-[[methyl(7H-purin-6-yl)amino]methyl]-2-(o-tolyl)isoquinolin-1-one CAS Name: 8-methyl-2-(2-methylphenyl)-3-[[methyl(7H-purin-6-yl)amino]methyl]-1-isoquinolinone IUPAC Name: 8-methyl-2-(2-methylphenyl)-3-[[methyl(7H-purin-6-yl)amino]methyl]isoquinolin-1-one Traditional Name: 8-methyl-3-[[methyl(7H-purin-6-yl)amino]methyl]-2-(o-tolyl)isocarbostyril Formula: C24H22N6O MolecularWeight: 410.47108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=CC3=C(C2=O)C(=CC=C3)C)CN(C)C4=NC=NC5=C4NC=N5

Isomeric SMILES

CC1=CC=CC=C1N2C(=CC3=C(C2=O)C(=CC=C3)C)CN(C)C4=NC=NC5=C4NC=N5

InChI

InChI=1S/C24H22N6O/c1-15-7-4-5-10-19(15)30-18(11-17-9-6-8-16(2)20(17)24(30)31)12-29(3)23-21-22(26-13-25-21)27-14-28-23/h4-11,13-14H,12H2,1-3H3,(H,25,26,27,28)