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

Systemtic Name: 1-[6-methyl-4-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-2-sulfanylidene-pyrimidin-5-yl]ethanone Openeye Name: 1-[6-methyl-4-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-2-thioxo-pyrimidin-5-yl]ethanone CAS Name: 1-[6-methyl-4-(4-methyl-1-piperazin-4-iumyl)-1-phenyl-2-sulfanylidene-5-pyrimidinyl]ethanone IUPAC Name: 1-[6-methyl-4-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone Traditional Name: 1-[6-methyl-4-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-2-thioxo-pyrimidin-5-yl]ethanone Formula: C18H23N4OS+ MolecularWeight: 343.46642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=S)N1C2=CC=CC=C2)N3CC[NH+](CC3)C)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=S)N1C2=CC=CC=C2)N3CC[NH+](CC3)C)C(=O)C

InChI

InChI=1S/C18H22N4OS/c1-13-16(14(2)23)17(21-11-9-20(3)10-12-21)19-18(24)22(13)15-7-5-4-6-8-15/h4-8H,9-12H2,1-3H3/p+1