5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-pyrimidin-1-ium-4-amine

Systemtic Name: 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-pyrimidin-1-ium-4-amine Openeye Name: 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-pyrimidin-1-ium-4-amine CAS Name: 5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-2-methyl-4-pyrimidin-1-iumamine IUPAC Name: 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methylpyrimidin-1-ium-4-amine Traditional Name: [5-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-2-methyl-pyrimidin-1-ium-4-yl]amine Formula: C12H16N5S+ MolecularWeight: 262.35394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=C[NH+]=C(N=C2N)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=C[NH+]=C(N=C2N)C)C

InChI

InChI=1S/C12H15N5S/c1-7-4-8(2)16-12(15-7)18-6-10-5-14-9(3)17-11(10)13/h4-5H,6H2,1-3H3,(H2,13,14,17)/p+1