N4-(3-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(3-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: 2-(4-methylpiperazin-4-ium-1-yl)-N4-(m-tolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3-methylphenyl)-2-(4-methyl-1-piperazin-4-iumyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(3-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-amino-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-4-yl]-(m-tolyl)amine Formula: C16H22N7O2+ MolecularWeight: 344.39158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)N3CC[NH+](CC3)C

InChI

InChI=1S/C16H21N7O2/c1-11-4-3-5-12(10-11)18-15-13(23(24)25)14(17)19-16(20-15)22-8-6-21(2)7-9-22/h3-5,10H,6-9H2,1-2H3,(H3,17,18,19,20)/p+1