2-[4-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-1-phenyl-ethanone

Systemtic Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-1-phenyl-ethanone Openeye Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-1-phenyl-ethanone CAS Name: 2-[[4-(4-methyl-1-piperazin-4-iumyl)-2-pyrimidinyl]thio]-1-phenylethanone IUPAC Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-1-phenylethanone Traditional Name: 2-[[4-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]thio]-1-phenyl-ethanone Formula: C17H21N4OS+ MolecularWeight: 329.43984

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=NC=C2)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=NC=C2)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H20N4OS/c1-20-9-11-21(12-10-20)16-7-8-18-17(19-16)23-13-15(22)14-5-3-2-4-6-14/h2-8H,9-13H2,1H3/p+1