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

Systemtic Name: 1-(2-propan-2-ylphenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione Openeye Name: 1-(2-isopropylphenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione CAS Name: 1-(2-propan-2-ylphenyl)-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-2-imidazolethione IUPAC Name: 1-(2-propan-2-ylphenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione Traditional Name: 1-o-cumenyl-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-4-imidazoline-2-thione Formula: C21H27N6S+ MolecularWeight: 395.54428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C=CN(C2=S)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C=CN(C2=S)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H26N6S/c1-17(2)18-6-3-4-7-19(18)27-15-14-26(21(27)28)16-24-10-12-25(13-11-24)20-22-8-5-9-23-20/h3-9,14-15,17H,10-13,16H2,1-2H3/p+1