7-methyl-2-(phenylmethylsulfanyl)-3H-purin-6-one

Systemtic Name: 7-methyl-2-(phenylmethylsulfanyl)-3H-purin-6-one Openeye Name: 2-benzylsulfanyl-7-methyl-3H-purin-6-one CAS Name: 7-methyl-2-(phenylmethylthio)-3H-purin-6-one IUPAC Name: 2-benzylsulfanyl-7-methyl-3H-purin-6-one Traditional Name: 2-(benzylthio)-7-methyl-3H-purin-6-one Formula: C13H12N4OS MolecularWeight: 272.32558

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N=C(N2)SCC3=CC=CC=C3

Isomeric SMILES

CN1C=NC2=C1C(=O)N=C(N2)SCC3=CC=CC=C3

InChI

InChI=1S/C13H12N4OS/c1-17-8-14-11-10(17)12(18)16-13(15-11)19-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,15,16,18)