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

Systemtic Name: 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione hydrobromide Openeye Name: 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-thioxo-9H-purine-2,6-dione hydrobromide CAS Name: 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione hydrobromide IUPAC Name: 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione hydrobromide Traditional Name: 7-(4-fluorobenzyl)-1,3-dimethyl-8-thioxo-9H-purine-2,6-quinone hydrobromide Formula: C14H14BrFN4O2S MolecularWeight: 401.253963

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=S)N2)CC3=CC=C(C=C3)F.Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=S)N2)CC3=CC=C(C=C3)F.Br

InChI

InChI=1S/C14H13FN4O2S.BrH/c1-17-11-10(12(20)18(2)14(17)21)19(13(22)16-11)7-8-3-5-9(15)6-4-8;/h3-6H,7H2,1-2H3,(H,16,22);1H