8-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 8-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-3,7-dimethyl-purine-2,6-dione CAS Name: 8-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-3,7-dimethylpurine-2,6-dione Traditional Name: 8-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-3,7-dimethyl-xanthine Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC(=O)C3=CC=C(C=C3)OC)N(C(=O)NC2=O)C

Isomeric SMILES

CN1C2=C(N=C1SCC(=O)C3=CC=C(C=C3)OC)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H16N4O4S/c1-19-12-13(20(2)15(23)18-14(12)22)17-16(19)25-8-11(21)9-4-6-10(24-3)7-5-9/h4-7H,8H2,1-3H3,(H,18,22,23)