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

Systemtic Name: 2-[[2,6-bis(azanyl)purin-9-yl]methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one Openeye Name: 2-[(2,6-diaminopurin-9-yl)methyl]-5-methyl-3-(o-tolyl)quinazolin-4-one CAS Name: 2-[(2,6-diamino-9-purinyl)methyl]-5-methyl-3-(2-methylphenyl)-4-quinazolinone IUPAC Name: 2-[(2,6-diaminopurin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one Traditional Name: 2-[(2,6-diaminopurin-9-yl)methyl]-5-methyl-3-(o-tolyl)quinazolin-4-one Formula: C22H20N8O MolecularWeight: 412.4472

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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=C4N=C(N=C5N)N

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C4N=C(N=C5N)N

InChI

InChI=1S/C22H20N8O/c1-12-6-3-4-9-15(12)30-16(26-14-8-5-7-13(2)17(14)21(30)31)10-29-11-25-18-19(23)27-22(24)28-20(18)29/h3-9,11H,10H2,1-2H3,(H4,23,24,27,28)