3-methyl-6-methylsulfanyl-8-phenyl-7H-purin-2-one

Systemtic Name: 3-methyl-6-methylsulfanyl-8-phenyl-7H-purin-2-one Openeye Name: 3-methyl-6-methylsulfanyl-8-phenyl-7H-purin-2-one CAS Name: 3-methyl-6-(methylthio)-8-phenyl-7H-purin-2-one IUPAC Name: 3-methyl-6-methylsulfanyl-8-phenyl-7H-purin-2-one Traditional Name: 3-methyl-6-(methylthio)-8-phenyl-7H-purin-2-one Formula: C13H12N4OS MolecularWeight: 272.32558

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC1=O)SC)NC(=N2)C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=NC1=O)SC)NC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C13H12N4OS/c1-17-11-9(12(19-2)16-13(17)18)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15)