6-(phenylmethylsulfanyl)-3,7-dihydropurin-2-one

Systemtic Name: 6-(phenylmethylsulfanyl)-3,7-dihydropurin-2-one Openeye Name: 6-benzylsulfanyl-3,7-dihydropurin-2-one CAS Name: 6-(phenylmethylthio)-3,7-dihydropurin-2-one IUPAC Name: 6-benzylsulfanyl-3,7-dihydropurin-2-one Traditional Name: 6-(benzylthio)-3,7-dihydropurin-2-one Formula: C12H10N4OS MolecularWeight: 258.299

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)NC3=C2NC=N3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)NC3=C2NC=N3

InChI

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