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

Systemtic Name: 1-cyclopropyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione Openeye Name: 1-cyclopropyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione CAS Name: 1-cyclopropyl-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-2-imidazolethione IUPAC Name: 1-cyclopropyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione Traditional Name: 1-cyclopropyl-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-4-imidazoline-2-thione Formula: C15H21N6S+ MolecularWeight: 317.43244

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=CN(C2=S)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CC1N2C=CN(C2=S)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C15H20N6S/c22-15-20(10-11-21(15)13-2-3-13)12-18-6-8-19(9-7-18)14-16-4-1-5-17-14/h1,4-5,10-11,13H,2-3,6-9,12H2/p+1