1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-sulfanylidene-9H-purine-2,6-dione hydrobromide

Systemtic Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-sulfanylidene-9H-purine-2,6-dione hydrobromide Openeye Name: 1,3-dimethyl-7-(p-tolylmethyl)-8-thioxo-9H-purine-2,6-dione hydrobromide CAS Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-sulfanylidene-9H-purine-2,6-dione hydrobromide IUPAC Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-sulfanylidene-9H-purine-2,6-dione hydrobromide Traditional Name: 1,3-dimethyl-7-(4-methylbenzyl)-8-thioxo-9H-purine-2,6-quinone hydrobromide Formula: C15H17BrN4O2S MolecularWeight: 397.29008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(NC2=S)N(C(=O)N(C3=O)C)C.Br

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(NC2=S)N(C(=O)N(C3=O)C)C.Br

InChI

InChI=1S/C15H16N4O2S.BrH/c1-9-4-6-10(7-5-9)8-19-11-12(16-14(19)22)17(2)15(21)18(3)13(11)20;/h4-7H,8H2,1-3H3,(H,16,22);1H