5-methyl-3-(2-methylphenyl)-2-(purin-7-ylmethyl)quinazolin-4-one

Systemtic Name: 5-methyl-3-(2-methylphenyl)-2-(purin-7-ylmethyl)quinazolin-4-one Openeye Name: 5-methyl-3-(o-tolyl)-2-(purin-7-ylmethyl)quinazolin-4-one CAS Name: 5-methyl-3-(2-methylphenyl)-2-(7-purinylmethyl)-4-quinazolinone IUPAC Name: 5-methyl-3-(2-methylphenyl)-2-(purin-7-ylmethyl)quinazolin-4-one Traditional Name: 5-methyl-3-(o-tolyl)-2-(purin-7-ylmethyl)quinazolin-4-one Formula: C22H18N6O MolecularWeight: 382.41792

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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=NC=NC=C54

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=NC=NC=C54

InChI

InChI=1S/C22H18N6O/c1-14-6-3-4-9-17(14)28-19(11-27-13-25-21-18(27)10-23-12-24-21)26-16-8-5-7-15(2)20(16)22(28)29/h3-10,12-13H,11H2,1-2H3