5-methyl-3-(2-methylphenyl)-2-[[(2-methyl-7H-purin-6-yl)amino]methyl]quinazolin-4-one

Systemtic Name: 5-methyl-3-(2-methylphenyl)-2-[[(2-methyl-7H-purin-6-yl)amino]methyl]quinazolin-4-one Openeye Name: 5-methyl-2-[[(2-methyl-7H-purin-6-yl)amino]methyl]-3-(o-tolyl)quinazolin-4-one CAS Name: 5-methyl-3-(2-methylphenyl)-2-[[(2-methyl-7H-purin-6-yl)amino]methyl]-4-quinazolinone IUPAC Name: 5-methyl-3-(2-methylphenyl)-2-[[(2-methyl-7H-purin-6-yl)amino]methyl]quinazolin-4-one Traditional Name: 5-methyl-2-[[(2-methyl-7H-purin-6-yl)amino]methyl]-3-(o-tolyl)quinazolin-4-one Formula: C23H21N7O MolecularWeight: 411.45914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CNC4=NC(=NC5=C4NC=N5)C

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CNC4=NC(=NC5=C4NC=N5)C

InChI

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