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

Systemtic Name: 2-[(2-azanyl-6-chloranyl-purin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one Openeye Name: 2-[(2-amino-6-chloro-purin-9-yl)methyl]-5-methyl-3-(o-tolyl)quinazolin-4-one CAS Name: 2-[(2-amino-6-chloro-9-purinyl)methyl]-5-methyl-3-(2-methylphenyl)-4-quinazolinone IUPAC Name: 2-[(2-amino-6-chloropurin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one Traditional Name: 2-[(2-amino-6-chloro-purin-9-yl)methyl]-5-methyl-3-(o-tolyl)quinazolin-4-one Formula: C22H18ClN7O MolecularWeight: 431.87762

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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=C5Cl)N

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C4N=C(N=C5Cl)N

InChI

InChI=1S/C22H18ClN7O/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,(H2,24,27,28)