2-(1-methylpyridin-1-ium-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-diamine; methyl sulfate

Systemtic Name: 2-(1-methylpyridin-1-ium-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-diamine; methyl sulfate Openeye Name: 2-(1-methylpyridin-1-ium-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-diamine; methyl sulfate CAS Name: 2-(1-methyl-2-pyridin-1-iumyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine; methyl sulfate IUPAC Name: 2-(1-methylpyridin-1-ium-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-diamine; methyl sulfate Traditional Name: [3-amino-2-(1-methylpyridin-1-ium-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amine; methyl sulfate Formula: C13H16N6O4S MolecularWeight: 352.36894

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C2=NN3C(=CC=NC3=C2N)N.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=CC=C1C2=NN3C(=CC=NC3=C2N)N.COS(=O)(=O)[O-]

InChI

InChI=1S/C12H12N6.CH4O4S/c1-17-7-3-2-4-8(17)11-10(14)12-15-6-5-9(13)18(12)16-11;1-5-6(2,3)4/h2-7,13-14,16H,1H3;1H3,(H,2,3,4)