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

Systemtic Name: 1-ethyl-3,7-dimethyl-8-(phenylmethylsulfanyl)purine-2,6-dione Openeye Name: 8-benzylsulfanyl-1-ethyl-3,7-dimethyl-purine-2,6-dione CAS Name: 1-ethyl-3,7-dimethyl-8-(phenylmethylthio)purine-2,6-dione IUPAC Name: 8-benzylsulfanyl-1-ethyl-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(benzylthio)-1-ethyl-3,7-dimethyl-xanthine Formula: C16H18N4O2S MolecularWeight: 330.40472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2C)SCC3=CC=CC=C3)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2C)SCC3=CC=CC=C3)N(C1=O)C

InChI

InChI=1S/C16H18N4O2S/c1-4-20-14(21)12-13(19(3)16(20)22)17-15(18(12)2)23-10-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3