4-methoxy-2-methyl-pyrimidin-1-ium-1,6-diamine; 2,4,6-trimethylbenzenesulfonate

Systemtic Name: 4-methoxy-2-methyl-pyrimidin-1-ium-1,6-diamine; 2,4,6-trimethylbenzenesulfonate Openeye Name: 4-methoxy-2-methyl-pyrimidin-1-ium-1,6-diamine; 2,4,6-trimethylbenzenesulfonate CAS Name: 4-methoxy-2-methylpyrimidin-1-ium-1,6-diamine; 2,4,6-trimethylbenzenesulfonate IUPAC Name: 4-methoxy-2-methylpyrimidin-1-ium-1,6-diamine; 2,4,6-trimethylbenzenesulfonate Traditional Name: (3-amino-6-methoxy-2-methyl-pyrimidin-3-ium-4-yl)amine; 2,4,6-trimethylbesylate Formula: C15H22N4O4S MolecularWeight: 354.42458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.CC1=NC(=CC(=[N+]1N)N)OC

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.CC1=NC(=CC(=[N+]1N)N)OC

InChI

InChI=1S/C9H12O3S.C6H10N4O/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;1-4-9-6(11-2)3-5(7)10(4)8/h4-5H,1-3H3,(H,10,11,12);3,7H,8H2,1-2H3