1-methyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione

Systemtic Name: 1-methyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione Openeye Name: 1-methyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione CAS Name: 1-methyl-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-2-imidazolethione IUPAC Name: 1-methyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione Traditional Name: 1-methyl-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-4-imidazoline-2-thione Formula: C13H19N6S+ MolecularWeight: 291.39516

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN(C1=S)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CN1C=CN(C1=S)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C13H18N6S/c1-16-5-8-19(13(16)20)11-17-6-9-18(10-7-17)12-14-3-2-4-15-12/h2-5,8H,6-7,9-11H2,1H3/p+1