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

Systemtic Name: 8-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-7-(2-methylpropyl)purine-2,6-dione Openeye Name: 8-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-7-isobutyl-3-methyl-purine-2,6-dione CAS Name: 8-[[2-(4-bromophenyl)-2-oxoethyl]thio]-3-methyl-7-(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-methyl-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-7-isobutyl-3-methyl-xanthine Formula: C18H19BrN4O3S MolecularWeight: 451.33746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1SCC(=O)C3=CC=C(C=C3)Br)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1SCC(=O)C3=CC=C(C=C3)Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H19BrN4O3S/c1-10(2)8-23-14-15(22(3)17(26)21-16(14)25)20-18(23)27-9-13(24)11-4-6-12(19)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,21,25,26)