8-(phenylmethylsulfanyl)-5,9-dihydropurin-6-one

Systemtic Name: 8-(phenylmethylsulfanyl)-5,9-dihydropurin-6-one Openeye Name: 8-benzylsulfanyl-5,9-dihydropurin-6-one CAS Name: 8-(phenylmethylthio)-5,9-dihydropurin-6-one IUPAC Name: 8-benzylsulfanyl-5,9-dihydropurin-6-one Traditional Name: 8-(benzylthio)-5,9-dihydropurin-6-one Formula: C12H10N4OS MolecularWeight: 258.299

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3C(=NC=NC3=O)N2

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3C(=NC=NC3=O)N2

InChI

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