1-[6-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-4-sulfanylidene-1H-pyrimidin-5-yl]ethanone

Systemtic Name: 1-[6-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-4-sulfanylidene-1H-pyrimidin-5-yl]ethanone Openeye Name: 1-[6-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-4-thioxo-1H-pyrimidin-5-yl]ethanone CAS Name: 1-[6-(4-methyl-1-piperazin-4-iumyl)-2-phenyl-4-sulfanylidene-1H-pyrimidin-5-yl]ethanone IUPAC Name: 1-[6-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-4-sulfanylidene-1H-pyrimidin-5-yl]ethanone Traditional Name: 1-[6-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-4-thioxo-1H-pyrimidin-5-yl]ethanone Formula: C17H21N4OS+ MolecularWeight: 329.43984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(NC(=NC1=S)C2=CC=CC=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CC(=O)C1=C(NC(=NC1=S)C2=CC=CC=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C17H20N4OS/c1-12(22)14-16(21-10-8-20(2)9-11-21)18-15(19-17(14)23)13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3,(H,18,19,23)/p+1