8-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-7-ethyl-3-methyl-purine-2,6-dione

Systemtic Name: 8-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-7-ethyl-3-methyl-purine-2,6-dione Openeye Name: 8-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-7-ethyl-3-methyl-purine-2,6-dione CAS Name: 8-[[2-(4-bromophenyl)-2-oxoethyl]thio]-7-ethyl-3-methylpurine-2,6-dione IUPAC Name: 8-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-7-ethyl-3-methylpurine-2,6-dione Traditional Name: 8-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-7-ethyl-3-methyl-xanthine Formula: C16H15BrN4O3S MolecularWeight: 423.2843

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC(=O)C3=CC=C(C=C3)Br)N(C(=O)NC2=O)C

Isomeric SMILES

CCN1C2=C(N=C1SCC(=O)C3=CC=C(C=C3)Br)N(C(=O)NC2=O)C

InChI

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