6-methylsulfanyl-9-(phenylmethyl)-7H-purin-8-one

Systemtic Name: 6-methylsulfanyl-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 9-benzyl-6-methylsulfanyl-7H-purin-8-one CAS Name: 6-(methylthio)-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 9-benzyl-6-methylsulfanyl-7H-purin-8-one Traditional Name: 9-benzyl-6-(methylthio)-7H-purin-8-one Formula: C13H12N4OS MolecularWeight: 272.32558

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=NC2=C1NC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CSC1=NC=NC2=C1NC(=O)N2CC3=CC=CC=C3

InChI

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