N2-methyl-5-nitro-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrimidine-2,4-diamine

Systemtic Name: N2-methyl-5-nitro-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrimidine-2,4-diamine Openeye Name: 6-(4-benzylpiperazin-4-ium-1-yl)-N2-methyl-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-methyl-5-nitro-6-[4-(phenylmethyl)-1-piperazin-4-iumyl]pyrimidine-2,4-diamine IUPAC Name: 6-(4-benzylpiperazin-4-ium-1-yl)-2-N-methyl-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-benzylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]-methyl-amine Formula: C16H22N7O2+ MolecularWeight: 344.39158

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C16H21N7O2/c1-18-16-19-14(17)13(23(24)25)15(20-16)22-9-7-21(8-10-22)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H3,17,18,19,20)/p+1