6-chloranylpyrimidin-3-ium-2,4-diamine; methanesulfonate

Systemtic Name: 6-chloranylpyrimidin-3-ium-2,4-diamine; methanesulfonate Openeye Name: 6-chloropyrimidin-3-ium-2,4-diamine; methanesulfonate CAS Name: 6-chloropyrimidin-3-ium-2,4-diamine; methanesulfonate IUPAC Name: 6-chloropyrimidin-3-ium-2,4-diamine; methanesulfonate Traditional Name: (2-amino-6-chloro-pyrimidin-3-ium-4-yl)amine mesylate Formula: C5H9ClN4O3S MolecularWeight: 240.66796

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=C(N=C([NH+]=C1N)N)Cl

Isomeric SMILES

CS(=O)(=O)[O-].C1=C(N=C([NH+]=C1N)N)Cl

InChI

InChI=1S/C4H5ClN4.CH4O3S/c5-2-1-3(6)9-4(7)8-2;1-5(2,3)4/h1H,(H4,6,7,8,9);1H3,(H,2,3,4)