5-[(4-ethylphenyl)methyl]pyrimidin-1-ium-2,4-diamine

Systemtic Name: 5-[(4-ethylphenyl)methyl]pyrimidin-1-ium-2,4-diamine Openeye Name: 5-[(4-ethylphenyl)methyl]pyrimidin-1-ium-2,4-diamine CAS Name: 5-[(4-ethylphenyl)methyl]pyrimidin-1-ium-2,4-diamine IUPAC Name: 5-[(4-ethylphenyl)methyl]pyrimidin-1-ium-2,4-diamine Traditional Name: [2-amino-5-(4-ethylbenzyl)pyrimidin-1-ium-4-yl]amine Formula: C13H17N4+ MolecularWeight: 229.30088

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC2=C[NH+]=C(N=C2N)N

Isomeric SMILES

CCC1=CC=C(C=C1)CC2=C[NH+]=C(N=C2N)N

InChI

InChI=1S/C13H16N4/c1-2-9-3-5-10(6-4-9)7-11-8-16-13(15)17-12(11)14/h3-6,8H,2,7H2,1H3,(H4,14,15,16,17)/p+1