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

Systemtic Name: 6-[(4-chlorophenyl)sulfanylmethyl]-2-(4-methylpiperazin-4-ium-1-yl)-1H-pyrimidin-4-one Openeye Name: 6-[(4-chlorophenyl)sulfanylmethyl]-2-(4-methylpiperazin-4-ium-1-yl)-1H-pyrimidin-4-one CAS Name: 6-[[(4-chlorophenyl)thio]methyl]-2-(4-methyl-1-piperazin-4-iumyl)-1H-pyrimidin-4-one IUPAC Name: 6-[(4-chlorophenyl)sulfanylmethyl]-2-(4-methylpiperazin-4-ium-1-yl)-1H-pyrimidin-4-one Traditional Name: 6-[[(4-chlorophenyl)thio]methyl]-2-(4-methylpiperazin-4-ium-1-yl)-1H-pyrimidin-4-one Formula: C16H20ClN4OS+ MolecularWeight: 351.8742

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=O)C=C(N2)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=O)C=C(N2)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H19ClN4OS/c1-20-6-8-21(9-7-20)16-18-13(10-15(22)19-16)11-23-14-4-2-12(17)3-5-14/h2-5,10H,6-9,11H2,1H3,(H,18,19,22)/p+1