6-methyl-N4-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrimidin-3-ium-2,4-diamine

Systemtic Name: 6-methyl-N4-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrimidin-3-ium-2,4-diamine Openeye Name: 6-methyl-N4-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrimidin-3-ium-2,4-diamine CAS Name: 6-methyl-N4-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrimidin-3-ium-2,4-diamine IUPAC Name: 6-methyl-4-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrimidin-3-ium-2,4-diamine Traditional Name: (2-amino-6-methyl-pyrimidin-3-ium-4-yl)-[4-(1,2,4-triazol-1-yl)benzyl]amine Formula: C14H16N7+ MolecularWeight: 282.32374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)N)NCC2=CC=C(C=C2)N3C=NC=N3

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)N)NCC2=CC=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C14H15N7/c1-10-6-13(20-14(15)19-10)17-7-11-2-4-12(5-3-11)21-9-16-8-18-21/h2-6,8-9H,7H2,1H3,(H3,15,17,19,20)/p+1