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

Systemtic Name: 8-[(2-methylphenyl)methylsulfanyl]-9-phenyl-3H-purin-6-one Openeye Name: 8-(o-tolylmethylsulfanyl)-9-phenyl-3H-purin-6-one CAS Name: 8-[(2-methylphenyl)methylthio]-9-phenyl-3H-purin-6-one IUPAC Name: 8-[(2-methylphenyl)methylsulfanyl]-9-phenyl-3H-purin-6-one Traditional Name: 8-[(2-methylbenzyl)thio]-9-phenyl-3H-purin-6-one Formula: C19H16N4OS MolecularWeight: 348.42154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=C(N2C4=CC=CC=C4)NC=NC3=O

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=C(N2C4=CC=CC=C4)NC=NC3=O

InChI

InChI=1S/C19H16N4OS/c1-13-7-5-6-8-14(13)11-25-19-22-16-17(20-12-21-18(16)24)23(19)15-9-3-2-4-10-15/h2-10,12H,11H2,1H3,(H,20,21,24)