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

Systemtic Name: 7-methyl-3-(phenylmethyl)-6-sulfanylidene-purin-2-one Openeye Name: 3-benzyl-7-methyl-6-thioxo-purin-2-one CAS Name: 7-methyl-3-(phenylmethyl)-6-sulfanylidene-2-purinone IUPAC Name: 3-benzyl-7-methyl-6-sulfanylidenepurin-2-one Traditional Name: 3-benzyl-7-methyl-6-thioxo-purin-2-one Formula: C13H12N4OS MolecularWeight: 272.32558

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=S)NC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CN1C=NC2=C1C(=S)NC(=O)N2CC3=CC=CC=C3

InChI

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