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

Systemtic Name: 5-methyl-3-(2-methylphenyl)-2-[(2-methylsulfanyl-7H-purin-6-yl)sulfanylmethyl]quinazolin-4-one Openeye Name: 5-methyl-2-[(2-methylsulfanyl-7H-purin-6-yl)sulfanylmethyl]-3-(o-tolyl)quinazolin-4-one CAS Name: 5-methyl-3-(2-methylphenyl)-2-[[[2-(methylthio)-7H-purin-6-yl]thio]methyl]-4-quinazolinone IUPAC Name: 5-methyl-3-(2-methylphenyl)-2-[(2-methylsulfanyl-7H-purin-6-yl)sulfanylmethyl]quinazolin-4-one Traditional Name: 5-methyl-2-[[[2-(methylthio)-7H-purin-6-yl]thio]methyl]-3-(o-tolyl)quinazolin-4-one Formula: C23H20N6OS2 MolecularWeight: 460.5745

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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)SC

Isomeric SMILES

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

InChI

InChI=1S/C23H20N6OS2/c1-13-7-4-5-10-16(13)29-17(26-15-9-6-8-14(2)18(15)22(29)30)11-32-21-19-20(25-12-24-19)27-23(28-21)31-3/h4-10,12H,11H2,1-3H3,(H,24,25,27,28)