2-(4-methylpiperazin-4-ium-1-yl)-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrimidin-4-one

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrimidin-4-one Openeye Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrimidin-4-one CAS Name: 2-(4-methyl-1-piperazin-4-iumyl)-6-[[(4-methyl-2-pyrimidinyl)thio]methyl]-1H-pyrimidin-4-one IUPAC Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrimidin-4-one Traditional Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-[[(4-methylpyrimidin-2-yl)thio]methyl]-1H-pyrimidin-4-one Formula: C15H21N6OS+ MolecularWeight: 333.43184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC2=CC(=O)N=C(N2)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=NC(=NC=C1)SCC2=CC(=O)N=C(N2)N3CC[NH+](CC3)C

InChI

InChI=1S/C15H20N6OS/c1-11-3-4-16-15(17-11)23-10-12-9-13(22)19-14(18-12)21-7-5-20(2)6-8-21/h3-4,9H,5-8,10H2,1-2H3,(H,18,19,22)/p+1