5-heptyl-6-methyl-pyrimidin-3-ium-2,4-diamine

Systemtic Name: 5-heptyl-6-methyl-pyrimidin-3-ium-2,4-diamine Openeye Name: 5-heptyl-6-methyl-pyrimidin-3-ium-2,4-diamine CAS Name: 5-heptyl-6-methylpyrimidin-3-ium-2,4-diamine IUPAC Name: 5-heptyl-6-methylpyrimidin-3-ium-2,4-diamine Traditional Name: (2-amino-5-heptyl-6-methyl-pyrimidin-3-ium-4-yl)amine Formula: C12H23N4+ MolecularWeight: 223.33782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(N=C([NH+]=C1N)N)C

Isomeric SMILES

CCCCCCCC1=C(N=C([NH+]=C1N)N)C

InChI

InChI=1S/C12H22N4/c1-3-4-5-6-7-8-10-9(2)15-12(14)16-11(10)13/h3-8H2,1-2H3,(H4,13,14,15,16)/p+1