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

Systemtic Name: 2-(4-ethylpiperazin-4-ium-1-yl)-6-(pyridin-2-ylsulfanylmethyl)-1H-pyrimidin-4-one Openeye Name: 2-(4-ethylpiperazin-4-ium-1-yl)-6-(2-pyridylsulfanylmethyl)-1H-pyrimidin-4-one CAS Name: 2-(4-ethyl-1-piperazin-4-iumyl)-6-[(2-pyridinylthio)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-(4-ethylpiperazin-4-ium-1-yl)-6-(pyridin-2-ylsulfanylmethyl)-1H-pyrimidin-4-one Traditional Name: 2-(4-ethylpiperazin-4-ium-1-yl)-6-[(2-pyridylthio)methyl]-1H-pyrimidin-4-one Formula: C16H22N5OS+ MolecularWeight: 332.44378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5OS/c1-2-20-7-9-21(10-8-20)16-18-13(11-14(22)19-16)12-23-15-5-3-4-6-17-15/h3-6,11H,2,7-10,12H2,1H3,(H,18,19,22)/p+1