5-methyl-2-[(2-methyl-6-oxidanylidene-3H-purin-9-yl)methyl]-3-(2-methylphenyl)quinazolin-4-one

Systemtic Name: 5-methyl-2-[(2-methyl-6-oxidanylidene-3H-purin-9-yl)methyl]-3-(2-methylphenyl)quinazolin-4-one Openeye Name: 5-methyl-2-[(2-methyl-6-oxo-3H-purin-9-yl)methyl]-3-(o-tolyl)quinazolin-4-one CAS Name: 5-methyl-2-[(2-methyl-6-oxo-3H-purin-9-yl)methyl]-3-(2-methylphenyl)-4-quinazolinone IUPAC Name: 5-methyl-2-[(2-methyl-6-oxo-3H-purin-9-yl)methyl]-3-(2-methylphenyl)quinazolin-4-one Traditional Name: 2-[(6-keto-2-methyl-3H-purin-9-yl)methyl]-5-methyl-3-(o-tolyl)quinazolin-4-one Formula: C23H20N6O2 MolecularWeight: 412.4439

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C4NC(=NC5=O)C

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C4NC(=NC5=O)C

InChI

InChI=1S/C23H20N6O2/c1-13-7-4-5-10-17(13)29-18(27-16-9-6-8-14(2)19(16)23(29)31)11-28-12-24-20-21(28)25-15(3)26-22(20)30/h4-10,12H,11H2,1-3H3,(H,25,26,30)