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

Systemtic Name: 1-(2,3-dimethylphenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione Openeye Name: 1-(2,3-dimethylphenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione CAS Name: 1-(2,3-dimethylphenyl)-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-2-imidazolethione IUPAC Name: 1-(2,3-dimethylphenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione Traditional Name: 1-(2,3-dimethylphenyl)-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-4-imidazoline-2-thione Formula: C20H25N6S+ MolecularWeight: 381.5177

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C=CN(C2=S)C[NH+]3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C=CN(C2=S)C[NH+]3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C20H24N6S/c1-16-5-3-6-18(17(16)2)26-14-13-25(20(26)27)15-23-9-11-24(12-10-23)19-21-7-4-8-22-19/h3-8,13-14H,9-12,15H2,1-2H3/p+1