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

Systemtic Name: 1,3-dimethyl-8-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-7H-purine-2,6-dione hydrobromide Openeye Name: 1,3-dimethyl-8-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-7H-purine-2,6-dione hydrobromide CAS Name: 1,3-dimethyl-8-[[2-(4-methylphenyl)-2-oxoethyl]thio]-7H-purine-2,6-dione hydrobromide IUPAC Name: 1,3-dimethyl-8-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-7H-purine-2,6-dione hydrobromide Traditional Name: 8-[[2-keto-2-(p-tolyl)ethyl]thio]-1,3-dimethyl-7H-purine-2,6-quinone hydrobromide Formula: C16H17BrN4O3S MolecularWeight: 425.30018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NC3=C(N2)C(=O)N(C(=O)N3C)C.Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NC3=C(N2)C(=O)N(C(=O)N3C)C.Br

InChI

InChI=1S/C16H16N4O3S.BrH/c1-9-4-6-10(7-5-9)11(21)8-24-15-17-12-13(18-15)19(2)16(23)20(3)14(12)22;/h4-7H,8H2,1-3H3,(H,17,18);1H