9-methyl-3-(phenylmethyl)-6-sulfanylidene-purin-2-one

Systemtic Name: 9-methyl-3-(phenylmethyl)-6-sulfanylidene-purin-2-one Openeye Name: 3-benzyl-9-methyl-6-thioxo-purin-2-one CAS Name: 9-methyl-3-(phenylmethyl)-6-sulfanylidene-2-purinone IUPAC Name: 3-benzyl-9-methyl-6-sulfanylidenepurin-2-one Traditional Name: 3-benzyl-9-methyl-6-thioxo-purin-2-one Formula: C13H12N4OS MolecularWeight: 272.32558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1N(C(=O)NC2=S)CC3=CC=CC=C3

Isomeric SMILES

CN1C=NC2=C1N(C(=O)NC2=S)CC3=CC=CC=C3

InChI

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