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

Systemtic Name: 2-[(2-azanyl-7H-purin-6-yl)sulfanylmethyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one Openeye Name: 2-[(2-amino-7H-purin-6-yl)sulfanylmethyl]-5-methyl-3-(o-tolyl)quinazolin-4-one CAS Name: 2-[[(2-amino-7H-purin-6-yl)thio]methyl]-5-methyl-3-(2-methylphenyl)-4-quinazolinone IUPAC Name: 2-[(2-amino-7H-purin-6-yl)sulfanylmethyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one Traditional Name: 2-[[(2-amino-7H-purin-6-yl)thio]methyl]-5-methyl-3-(o-tolyl)quinazolin-4-one Formula: C22H19N7OS MolecularWeight: 429.49756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CSC4=NC(=NC5=C4NC=N5)N

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CSC4=NC(=NC5=C4NC=N5)N

InChI

InChI=1S/C22H19N7OS/c1-12-6-3-4-9-15(12)29-16(26-14-8-5-7-13(2)17(14)21(29)30)10-31-20-18-19(25-11-24-18)27-22(23)28-20/h3-9,11H,10H2,1-2H3,(H3,23,24,25,27,28)