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

Systemtic Name: 1-[6-methyl-4-(4-methylpiperazin-4-ium-1-yl)-1-(phenylmethyl)-2-sulfanylidene-pyrimidin-5-yl]ethanone Openeye Name: 1-[1-benzyl-6-methyl-4-(4-methylpiperazin-4-ium-1-yl)-2-thioxo-pyrimidin-5-yl]ethanone CAS Name: 1-[6-methyl-4-(4-methyl-1-piperazin-4-iumyl)-1-(phenylmethyl)-2-sulfanylidene-5-pyrimidinyl]ethanone IUPAC Name: 1-[1-benzyl-6-methyl-4-(4-methylpiperazin-4-ium-1-yl)-2-sulfanylidenepyrimidin-5-yl]ethanone Traditional Name: 1-[1-benzyl-6-methyl-4-(4-methylpiperazin-4-ium-1-yl)-2-thioxo-pyrimidin-5-yl]ethanone Formula: C19H25N4OS+ MolecularWeight: 357.493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=S)N1CC2=CC=CC=C2)N3CC[NH+](CC3)C)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=S)N1CC2=CC=CC=C2)N3CC[NH+](CC3)C)C(=O)C

InChI

InChI=1S/C19H24N4OS/c1-14-17(15(2)24)18(22-11-9-21(3)10-12-22)20-19(25)23(14)13-16-7-5-4-6-8-16/h4-8H,9-13H2,1-3H3/p+1