8-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3,9-trimethyl-purine-2,6-dione

Systemtic Name: 8-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3,9-trimethyl-purine-2,6-dione Openeye Name: 8-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-1,3,9-trimethyl-purine-2,6-dione CAS Name: 8-[[2-(4-bromophenyl)-2-oxoethyl]thio]-1,3,9-trimethylpurine-2,6-dione IUPAC Name: 8-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-1,3,9-trimethylpurine-2,6-dione Traditional Name: 8-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-1,3,9-trimethyl-xanthine Formula: C16H15BrN4O3S MolecularWeight: 423.2843

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H15BrN4O3S/c1-19-13-12(14(23)21(3)16(24)20(13)2)18-15(19)25-8-11(22)9-4-6-10(17)7-5-9/h4-7H,8H2,1-3H3