2-[1-[(2-azanyl-7H-purin-6-yl)amino]ethyl]-5-methyl-3-(3-methylphenyl)quinazolin-4-one

Systemtic Name: 2-[1-[(2-azanyl-7H-purin-6-yl)amino]ethyl]-5-methyl-3-(3-methylphenyl)quinazolin-4-one Openeye Name: 2-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-5-methyl-3-(m-tolyl)quinazolin-4-one CAS Name: 2-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-5-methyl-3-(3-methylphenyl)-4-quinazolinone IUPAC Name: 2-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-5-methyl-3-(3-methylphenyl)quinazolin-4-one Traditional Name: 2-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-5-methyl-3-(m-tolyl)quinazolin-4-one Formula: C23H22N8O MolecularWeight: 426.47378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=C(C=CC=C3N=C2C(C)NC4=NC(=NC5=C4NC=N5)N)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=C(C=CC=C3N=C2C(C)NC4=NC(=NC5=C4NC=N5)N)C

InChI

InChI=1S/C23H22N8O/c1-12-6-4-8-15(10-12)31-21(28-16-9-5-7-13(2)17(16)22(31)32)14(3)27-20-18-19(26-11-25-18)29-23(24)30-20/h4-11,14H,1-3H3,(H4,24,25,26,27,29,30)