6-methyl-N4-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 6-methyl-N4-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]pyrimidine-2,4-diamine Openeye Name: 6-methyl-N4-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]pyrimidine-2,4-diamine CAS Name: 6-methyl-N4-[[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 6-methyl-4-N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]pyrimidine-2,4-diamine Traditional Name: (2-amino-6-methyl-pyrimidin-4-yl)-[[2-(4-pyridin-1-ium-2-ylpiperazino)pyridin-1-ium-3-yl]methyl]amine Formula: C20H26N8+2 MolecularWeight: 378.47404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N)NCC2=C([NH+]=CC=C2)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC(=NC(=N1)N)NCC2=C([NH+]=CC=C2)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H24N8/c1-15-13-17(26-20(21)25-15)24-14-16-5-4-8-23-19(16)28-11-9-27(10-12-28)18-6-2-3-7-22-18/h2-8,13H,9-12,14H2,1H3,(H3,21,24,25,26)/p+2