2-methylsulfanyl-3-(phenylmethyl)-7H-purin-6-one

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C2=C(N1CC3=CC=CC=C3)N=CN2

Isomeric SMILES

CSC1=NC(=O)C2=C(N1CC3=CC=CC=C3)N=CN2

InChI

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