1-(4-bromophenyl)-2-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(4-bromophenyl)-2-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-ethanone Openeye Name: 1-(4-bromophenyl)-2-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-(4-bromophenyl)-2-[[4-methyl-6-(4-methyl-1-piperazin-4-iumyl)-2-pyrimidinyl]thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylethanone Traditional Name: 1-(4-bromophenyl)-2-[[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]thio]ethanone Formula: C18H22BrN4OS+ MolecularWeight: 422.36248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)C2=CC=C(C=C2)Br)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)C2=CC=C(C=C2)Br)N3CC[NH+](CC3)C

InChI

InChI=1S/C18H21BrN4OS/c1-13-11-17(23-9-7-22(2)8-10-23)21-18(20-13)25-12-16(24)14-3-5-15(19)6-4-14/h3-6,11H,7-10,12H2,1-2H3/p+1