2-(phenylmethylsulfanyl)-9-(triphenylmethyl)-7,8-dihydro-3H-purin-6-one

Systemtic Name: 2-(phenylmethylsulfanyl)-9-(triphenylmethyl)-7,8-dihydro-3H-purin-6-one Openeye Name: 2-benzylsulfanyl-9-trityl-7,8-dihydro-3H-purin-6-one CAS Name: 2-(phenylmethylthio)-9-(triphenylmethyl)-7,8-dihydro-3H-purin-6-one IUPAC Name: 2-benzylsulfanyl-9-trityl-7,8-dihydro-3H-purin-6-one Traditional Name: 2-(benzylthio)-9-trityl-7,8-dihydro-3H-purin-6-one Formula: C31H26N4OS MolecularWeight: 502.62934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)NC(=NC2=O)SCC6=CC=CC=C6

Isomeric SMILES

C1NC2=C(N1C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)NC(=NC2=O)SCC6=CC=CC=C6

InChI

InChI=1S/C31H26N4OS/c36-29-27-28(33-30(34-29)37-21-23-13-5-1-6-14-23)35(22-32-27)31(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,32H,21-22H2,(H,33,34,36)