7-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione

Systemtic Name: 7-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 7-[2-(4-bromophenyl)-2-oxo-ethyl]-1,3-dimethyl-8-thioxo-9H-purine-2,6-dione CAS Name: 7-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 7-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 7-[2-(4-bromophenyl)-2-keto-ethyl]-1,3-dimethyl-8-thioxo-9H-purine-2,6-quinone Formula: C15H13BrN4O3S MolecularWeight: 409.25772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13BrN4O3S/c1-18-12-11(13(22)19(2)15(18)23)20(14(24)17-12)7-10(21)8-3-5-9(16)6-4-8/h3-6H,7H2,1-2H3,(H,17,24)