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

Systemtic Name: 5-methyl-3-(2-methylphenyl)-2-[(9-methylpurin-6-yl)sulfanylmethyl]quinazolin-4-one Openeye Name: 5-methyl-2-[(9-methylpurin-6-yl)sulfanylmethyl]-3-(o-tolyl)quinazolin-4-one CAS Name: 5-methyl-3-(2-methylphenyl)-2-[[(9-methyl-6-purinyl)thio]methyl]-4-quinazolinone IUPAC Name: 5-methyl-3-(2-methylphenyl)-2-[(9-methylpurin-6-yl)sulfanylmethyl]quinazolin-4-one Traditional Name: 5-methyl-2-[[(9-methylpurin-6-yl)thio]methyl]-3-(o-tolyl)quinazolin-4-one Formula: C23H20N6OS MolecularWeight: 428.5095

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CSC4=NC=NC5=C4N=CN5C

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CSC4=NC=NC5=C4N=CN5C

InChI

InChI=1S/C23H20N6OS/c1-14-7-4-5-10-17(14)29-18(27-16-9-6-8-15(2)19(16)23(29)30)11-31-22-20-21(24-12-25-22)28(3)13-26-20/h4-10,12-13H,11H2,1-3H3