8-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione hydrobromide

Systemtic Name: 8-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione hydrobromide Openeye Name: 8-[2-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione hydrobromide CAS Name: 8-[[2-(4-fluorophenyl)-2-oxoethyl]thio]-1,3-dimethyl-7H-purine-2,6-dione hydrobromide IUPAC Name: 8-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione hydrobromide Traditional Name: 8-[[2-(4-fluorophenyl)-2-keto-ethyl]thio]-1,3-dimethyl-7H-purine-2,6-quinone hydrobromide Formula: C15H14BrFN4O3S MolecularWeight: 429.264063

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC(=O)C3=CC=C(C=C3)F.Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC(=O)C3=CC=C(C=C3)F.Br

InChI

InChI=1S/C15H13FN4O3S.BrH/c1-19-12-11(13(22)20(2)15(19)23)17-14(18-12)24-7-10(21)8-3-5-9(16)6-4-8;/h3-6H,7H2,1-2H3,(H,17,18);1H