2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1H-imidazo[1,2-a]pyrimidin-4-ium

Systemtic Name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1H-imidazo[1,2-a]pyrimidin-4-ium Openeye Name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1H-imidazo[1,2-a]pyrimidin-4-ium CAS Name: 2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1H-imidazo[1,2-a]pyrimidin-4-ium IUPAC Name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1H-imidazo[1,2-a]pyrimidin-4-ium Traditional Name: 2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-1H-imidazo[1,2-a]pyrimidin-4-ium Formula: C13H14N5S+ MolecularWeight: 272.34876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=C[N+]3=CC=CN=C3N2)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=C[N+]3=CC=CN=C3N2)C

InChI

InChI=1S/C13H13N5S/c1-9-6-10(2)16-13(15-9)19-8-11-7-18-5-3-4-14-12(18)17-11/h3-7H,8H2,1-2H3/p+1