N2-(2-methylphenyl)-6-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-(2-methylphenyl)-6-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-(o-tolyl)-6-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-(2-methylphenyl)-6-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(2-methylphenyl)-6-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-s-triazin-2-yl]-(o-tolyl)amine Formula: C19H24N9+ MolecularWeight: 378.45416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H23N9/c1-14-5-2-3-6-15(14)23-18-25-16(24-17(20)26-18)13-27-9-11-28(12-10-27)19-21-7-4-8-22-19/h2-8H,9-13H2,1H3,(H3,20,23,24,25,26)/p+1