N4,N4-dimethyl-N6-(4-methylphenyl)-2-[4-(1-oxidanidylpyridin-1-ium-2-yl)piperazin-1-yl]pyrimidine-4,6-diamine

Systemtic Name: N4,N4-dimethyl-N6-(4-methylphenyl)-2-[4-(1-oxidanidylpyridin-1-ium-2-yl)piperazin-1-yl]pyrimidine-4,6-diamine Openeye Name: N4,N4-dimethyl-2-[4-(1-oxidopyridin-1-ium-2-yl)piperazin-1-yl]-N6-(p-tolyl)pyrimidine-4,6-diamine CAS Name: N4,N4-dimethyl-N6-(4-methylphenyl)-2-[4-(1-oxido-2-pyridin-1-iumyl)-1-piperazinyl]pyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-[4-(1-oxidopyridin-1-ium-2-yl)piperazin-1-yl]pyrimidine-4,6-diamine Traditional Name: dimethyl-[2-[4-(1-oxidopyridin-1-ium-2-yl)piperazino]-6-(p-toluidino)pyrimidin-4-yl]amine Formula: C22H27N7O MolecularWeight: 405.49608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=CC(=NC(=N2)N3CCN(CC3)C4=CC=CC=[N+]4[O-])N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=CC(=NC(=N2)N3CCN(CC3)C4=CC=CC=[N+]4[O-])N(C)C

InChI

InChI=1S/C22H27N7O/c1-17-7-9-18(10-8-17)23-19-16-20(26(2)3)25-22(24-19)28-14-12-27(13-15-28)21-6-4-5-11-29(21)30/h4-11,16H,12-15H2,1-3H3,(H,23,24,25)