2-(4-ethylpiperazin-4-ium-1-yl)-6-(4-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 2-(4-ethylpiperazin-4-ium-1-yl)-6-(4-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 2-(4-ethylpiperazin-4-ium-1-yl)-6-(4-methyl-1-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: 2-(4-ethyl-1-piperazin-4-iumyl)-6-(4-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine IUPAC Name: 2-(4-ethylpiperazin-4-ium-1-yl)-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [2-(4-ethylpiperazin-4-ium-1-yl)-6-(4-methylpiperidino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H28N7O2+ MolecularWeight: 350.43922

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCC(CC3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCC(CC3)C

InChI

InChI=1S/C16H27N7O2/c1-3-20-8-10-22(11-9-20)16-18-14(17)13(23(24)25)15(19-16)21-6-4-12(2)5-7-21/h12H,3-11H2,1-2H3,(H2,17,18,19)/p+1