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

Systemtic Name: 8-[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-7-propyl-purine-2,6-dione Openeye Name: 8-[2-(2,5-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-1,3-dimethyl-7-propyl-purine-2,6-dione CAS Name: 8-[[2-(2,5-dimethoxyphenyl)-2-oxoethyl]thio]-1,3-dimethyl-7-propylpurine-2,6-dione IUPAC Name: 8-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-propylpurine-2,6-dione Traditional Name: 8-[[2-(2,5-dimethoxyphenyl)-2-keto-ethyl]thio]-1,3-dimethyl-7-propyl-xanthine Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC(=O)C3=C(C=CC(=C3)OC)OC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC(=O)C3=C(C=CC(=C3)OC)OC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C20H24N4O5S/c1-6-9-24-16-17(22(2)20(27)23(3)18(16)26)21-19(24)30-11-14(25)13-10-12(28-4)7-8-15(13)29-5/h7-8,10H,6,9,11H2,1-5H3