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

Systemtic Name: 2-[[(2-azanyl-7H-purin-6-yl)amino]methyl]-5-chloranyl-3-(2-methylphenyl)quinazolin-4-one Openeye Name: 2-[[(2-amino-7H-purin-6-yl)amino]methyl]-5-chloro-3-(o-tolyl)quinazolin-4-one CAS Name: 2-[[(2-amino-7H-purin-6-yl)amino]methyl]-5-chloro-3-(2-methylphenyl)-4-quinazolinone IUPAC Name: 2-[[(2-amino-7H-purin-6-yl)amino]methyl]-5-chloro-3-(2-methylphenyl)quinazolin-4-one Traditional Name: 2-[[(2-amino-7H-purin-6-yl)amino]methyl]-5-chloro-3-(o-tolyl)quinazolin-4-one Formula: C21H17ClN8O MolecularWeight: 432.86568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NC3=C(C2=O)C(=CC=C3)Cl)CNC4=NC(=NC5=C4NC=N5)N

Isomeric SMILES

CC1=CC=CC=C1N2C(=NC3=C(C2=O)C(=CC=C3)Cl)CNC4=NC(=NC5=C4NC=N5)N

InChI

InChI=1S/C21H17ClN8O/c1-11-5-2-3-8-14(11)30-15(27-13-7-4-6-12(22)16(13)20(30)31)9-24-18-17-19(26-10-25-17)29-21(23)28-18/h2-8,10H,9H2,1H3,(H4,23,24,25,26,28,29)