9-(4-methylphenyl)-8-[(2-methylphenyl)methylsulfanyl]-3H-purin-6-one

Systemtic Name: 9-(4-methylphenyl)-8-[(2-methylphenyl)methylsulfanyl]-3H-purin-6-one Openeye Name: 8-(o-tolylmethylsulfanyl)-9-(p-tolyl)-3H-purin-6-one CAS Name: 9-(4-methylphenyl)-8-[(2-methylphenyl)methylthio]-3H-purin-6-one IUPAC Name: 9-(4-methylphenyl)-8-[(2-methylphenyl)methylsulfanyl]-3H-purin-6-one Traditional Name: 8-[(2-methylbenzyl)thio]-9-(p-tolyl)-3H-purin-6-one Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC4=CC=CC=C4C

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC4=CC=CC=C4C

InChI

InChI=1S/C20H18N4OS/c1-13-7-9-16(10-8-13)24-18-17(19(25)22-12-21-18)23-20(24)26-11-15-6-4-3-5-14(15)2/h3-10,12H,11H2,1-2H3,(H,21,22,25)