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

Systemtic Name: 8-[2-(2-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-[2-(2-fluoro-4-methoxy-phenyl)-2-oxo-ethyl]sulfanyl-3,7-dimethyl-purine-2,6-dione CAS Name: 8-[[2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl]thio]-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl]sulfanyl-3,7-dimethylpurine-2,6-dione Traditional Name: 8-[[2-(2-fluoro-4-methoxy-phenyl)-2-keto-ethyl]thio]-3,7-dimethyl-xanthine Formula: C16H15FN4O4S MolecularWeight: 378.378103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15FN4O4S/c1-20-12-13(21(2)15(24)19-14(12)23)18-16(20)26-7-11(22)9-5-4-8(25-3)6-10(9)17/h4-6H,7H2,1-3H3,(H,19,23,24)