1,6-dimethyl-N4-phenyl-pyrimidin-1-ium-2,4-diamine; methanesulfonate

Systemtic Name: 1,6-dimethyl-N4-phenyl-pyrimidin-1-ium-2,4-diamine; methanesulfonate Openeye Name: 1,6-dimethyl-N4-phenyl-pyrimidin-1-ium-2,4-diamine; methanesulfonate CAS Name: 1,6-dimethyl-N4-phenylpyrimidin-1-ium-2,4-diamine; methanesulfonate IUPAC Name: 1,6-dimethyl-4-N-phenylpyrimidin-1-ium-2,4-diamine; methanesulfonate Traditional Name: (2-amino-1,6-dimethyl-pyrimidin-1-ium-4-yl)-phenyl-amine mesylate Formula: C13H18N4O3S MolecularWeight: 310.37202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=[N+]1C)N)NC2=CC=CC=C2.CS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=NC(=[N+]1C)N)NC2=CC=CC=C2.CS(=O)(=O)[O-]

InChI

InChI=1S/C12H14N4.CH4O3S/c1-9-8-11(15-12(13)16(9)2)14-10-6-4-3-5-7-10;1-5(2,3)4/h3-8H,1-2H3,(H2,13,14,15);1H3,(H,2,3,4)