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

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

Isomeric SMILES

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

InChI

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