2-(4-methylpiperazin-4-ium-1-yl)-6-(pyridin-2-ylsulfanylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-(pyridin-2-ylsulfanylmethyl)-1H-pyrimidin-4-one Openeye Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-(2-pyridylsulfanylmethyl)-1H-pyrimidin-4-one CAS Name: 2-(4-methyl-1-piperazin-4-iumyl)-6-[(2-pyridinylthio)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-(pyridin-2-ylsulfanylmethyl)-1H-pyrimidin-4-one Traditional Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-[(2-pyridylthio)methyl]-1H-pyrimidin-4-one Formula: C15H20N5OS+ MolecularWeight: 318.4172

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=O)C=C(N2)CSC3=CC=CC=N3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=O)C=C(N2)CSC3=CC=CC=N3

InChI

InChI=1S/C15H19N5OS/c1-19-6-8-20(9-7-19)15-17-12(10-13(21)18-15)11-22-14-4-2-3-5-16-14/h2-5,10H,6-9,11H2,1H3,(H,17,18,21)/p+1