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

Systemtic Name: 2-[[(2-fluoranyl-7H-purin-6-yl)amino]methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one Openeye Name: 2-[[(2-fluoro-7H-purin-6-yl)amino]methyl]-5-methyl-3-(o-tolyl)quinazolin-4-one CAS Name: 2-[[(2-fluoro-7H-purin-6-yl)amino]methyl]-5-methyl-3-(2-methylphenyl)-4-quinazolinone IUPAC Name: 2-[[(2-fluoro-7H-purin-6-yl)amino]methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one Traditional Name: 2-[[(2-fluoro-7H-purin-6-yl)amino]methyl]-5-methyl-3-(o-tolyl)quinazolin-4-one Formula: C22H18FN7O MolecularWeight: 415.423023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CNC4=NC(=NC5=C4NC=N5)F

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CNC4=NC(=NC5=C4NC=N5)F

InChI

InChI=1S/C22H18FN7O/c1-12-6-3-4-9-15(12)30-16(27-14-8-5-7-13(2)17(14)21(30)31)10-24-19-18-20(26-11-25-18)29-22(23)28-19/h3-9,11H,10H2,1-2H3,(H2,24,25,26,28,29)