N2,N2-diethyl-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2,N2-diethyl-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2,N2-diethyl-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N2,N2-diethyl-6-(4-methyl-1-piperazin-4-iumyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N,2-N-diethyl-6-(4-methylpiperazin-4-ium-1-yl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]-diethyl-amine Formula: C13H24N7O2+ MolecularWeight: 310.37536

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CC[NH+](CC2)C

Isomeric SMILES

CCN(CC)C1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CC[NH+](CC2)C

InChI

InChI=1S/C13H23N7O2/c1-4-18(5-2)13-15-11(14)10(20(21)22)12(16-13)19-8-6-17(3)7-9-19/h4-9H2,1-3H3,(H2,14,15,16)/p+1