8-[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[2-(2,5-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[[2-(2,5-dimethoxyphenyl)-2-oxoethyl]thio]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[[2-(2,5-dimethoxyphenyl)-2-keto-ethyl]thio]-1,3,7-trimethyl-xanthine Formula: C18H20N4O5S MolecularWeight: 404.4402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC(=O)C3=C(C=CC(=C3)OC)OC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SCC(=O)C3=C(C=CC(=C3)OC)OC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H20N4O5S/c1-20-14-15(21(2)18(25)22(3)16(14)24)19-17(20)28-9-12(23)11-8-10(26-4)6-7-13(11)27-5/h6-8H,9H2,1-5H3