2-(4-methylpiperazin-4-ium-1-yl)-6-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-4-one

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-4-one Openeye Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-4-one CAS Name: 2-(4-methyl-1-piperazin-4-iumyl)-6-[[(1-phenyl-5-tetrazolyl)thio]methyl]-1H-pyrimidin-4-one IUPAC Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-4-one Traditional Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-[[(1-phenyltetrazol-5-yl)thio]methyl]-1H-pyrimidin-4-one Formula: C17H21N8OS+ MolecularWeight: 385.46664

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=O)C=C(N2)CSC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=O)C=C(N2)CSC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C17H20N8OS/c1-23-7-9-24(10-8-23)16-18-13(11-15(26)19-16)12-27-17-20-21-22-25(17)14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3,(H,18,19,26)/p+1