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

Systemtic Name: 8-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione hydrobromide Openeye Name: 8-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione hydrobromide CAS Name: 8-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]thio]-1,3-dimethyl-7H-purine-2,6-dione hydrobromide IUPAC Name: 8-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione hydrobromide Traditional Name: 8-[[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]thio]-1,3-dimethyl-7H-purine-2,6-quinone hydrobromide Formula: C17H19BrN4O5S MolecularWeight: 471.32556

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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)OC)OC.Br

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O5S.BrH/c1-20-14-13(15(23)21(2)17(20)24)18-16(19-14)27-8-10(22)9-5-6-11(25-3)12(7-9)26-4;/h5-7H,8H2,1-4H3,(H,18,19);1H