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

Systemtic Name: 5-methyl-2-[[6-(methylamino)purin-9-yl]methyl]-3-(2-methylphenyl)quinazolin-4-one Openeye Name: 5-methyl-2-[[6-(methylamino)purin-9-yl]methyl]-3-(o-tolyl)quinazolin-4-one CAS Name: 5-methyl-2-[[6-(methylamino)-9-purinyl]methyl]-3-(2-methylphenyl)-4-quinazolinone IUPAC Name: 5-methyl-2-[[6-(methylamino)purin-9-yl]methyl]-3-(2-methylphenyl)quinazolin-4-one Traditional Name: 5-methyl-2-[[6-(methylamino)purin-9-yl]methyl]-3-(o-tolyl)quinazolin-4-one Formula: C23H21N7O MolecularWeight: 411.45914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C4N=CN=C5NC

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C4N=CN=C5NC

InChI

InChI=1S/C23H21N7O/c1-14-7-4-5-10-17(14)30-18(28-16-9-6-8-15(2)19(16)23(30)31)11-29-13-27-20-21(24-3)25-12-26-22(20)29/h4-10,12-13H,11H2,1-3H3,(H,24,25,26)