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

Systemtic Name: 5-[(4-tert-butylphenyl)methyl]pyrimidin-1-ium-2,4-diamine Openeye Name: 5-[(4-tert-butylphenyl)methyl]pyrimidin-1-ium-2,4-diamine CAS Name: 5-[(4-tert-butylphenyl)methyl]pyrimidin-1-ium-2,4-diamine IUPAC Name: 5-[(4-tert-butylphenyl)methyl]pyrimidin-1-ium-2,4-diamine Traditional Name: [2-amino-5-(4-tert-butylbenzyl)pyrimidin-1-ium-4-yl]amine Formula: C15H21N4+ MolecularWeight: 257.35404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4/c1-15(2,3)12-6-4-10(5-7-12)8-11-9-18-14(17)19-13(11)16/h4-7,9H,8H2,1-3H3,(H4,16,17,18,19)/p+1