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

Systemtic Name: 6-(azepan-1-yl)-2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-2-(4-ethyl-1-piperazin-4-iumyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-2-(4-ethylpiperazin-4-ium-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-2-(4-ethylpiperazin-4-ium-1-yl)-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-])N3CCCCCC3

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCCCCC3

InChI

InChI=1S/C16H27N7O2/c1-2-20-9-11-22(12-10-20)16-18-14(17)13(23(24)25)15(19-16)21-7-5-3-4-6-8-21/h2-12H2,1H3,(H2,17,18,19)/p+1