1,3-dimethyl-7-(phenylmethyl)-8-(phenylmethylsulfanyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(phenylmethyl)-8-(phenylmethylsulfanyl)purine-2,6-dione Openeye Name: 7-benzyl-8-benzylsulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-(phenylmethyl)-8-(phenylmethylthio)purine-2,6-dione IUPAC Name: 7-benzyl-8-benzylsulfanyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-(benzylthio)-1,3-dimethyl-xanthine Formula: C21H20N4O2S MolecularWeight: 392.4741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2S/c1-23-18-17(19(26)24(2)21(23)27)25(13-15-9-5-3-6-10-15)20(22-18)28-14-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3