9-(phenylmethyl)-6-sulfanylidene-3,7-dihydropurin-8-one

Systemtic Name: 9-(phenylmethyl)-6-sulfanylidene-3,7-dihydropurin-8-one Openeye Name: 9-benzyl-6-thioxo-3,7-dihydropurin-8-one CAS Name: 9-(phenylmethyl)-6-sulfanylidene-3,7-dihydropurin-8-one IUPAC Name: 9-benzyl-6-sulfanylidene-3,7-dihydropurin-8-one Traditional Name: 9-benzyl-6-thioxo-3,7-dihydropurin-8-one Formula: C12H10N4OS MolecularWeight: 258.299

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=S)N=CN3)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=S)N=CN3)NC2=O

InChI

InChI=1S/C12H10N4OS/c17-12-15-9-10(13-7-14-11(9)18)16(12)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,15,17)(H,13,14,18)