2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-phenyl-4,5-dihydro-1H-imidazol-3-ium-3-carbothioamide

Systemtic Name: 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-phenyl-4,5-dihydro-1H-imidazol-3-ium-3-carbothioamide Openeye Name: 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-phenyl-4,5-dihydro-1H-imidazol-3-ium-3-carbothioamide CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)amino]-N-phenyl-4,5-dihydro-1H-imidazol-3-ium-3-carbothioamide IUPAC Name: 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-phenyl-4,5-dihydro-1H-imidazol-3-ium-3-carbothioamide Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-phenyl-2-imidazolin-1-ium-1-carbothioamide Formula: C16H19N6S+ MolecularWeight: 327.42726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=[N+](CCN2)C(=S)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=[N+](CCN2)C(=S)NC3=CC=CC=C3)C

InChI

InChI=1S/C16H18N6S/c1-11-10-12(2)19-14(18-11)21-15-17-8-9-22(15)16(23)20-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H2,17,18,19,20,21,23)/p+1