2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one bromide

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one bromide Openeye Name: 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one bromide CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-6-methyl-1H-pyrimidin-4-one bromide IUPAC Name: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one bromide Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-6-methyl-1H-pyrimidin-4-one bromide Formula: C13H11Br2N2O2S- MolecularWeight: 419.11164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC(=O)C2=CC=C(C=C2)Br.[Br-]

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC(=O)C2=CC=C(C=C2)Br.[Br-]

InChI

InChI=1S/C13H11BrN2O2S.BrH/c1-8-6-12(18)16-13(15-8)19-7-11(17)9-2-4-10(14)5-3-9;/h2-6H,7H2,1H3,(H,15,16,18);1H/p-1