8-[2-(4-hydroxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[2-(4-hydroxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[2-(4-hydroxyphenyl)-2-oxo-ethyl]sulfanyl-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[[2-(4-hydroxyphenyl)-2-oxoethyl]thio]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[2-(4-hydroxyphenyl)-2-oxoethyl]sulfanyl-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[[2-(4-hydroxyphenyl)-2-keto-ethyl]thio]-1,3,7-trimethyl-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)O)N(C(=O)N(C2=O)C)C

Isomeric SMILES

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

InChI

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