N4-cyclohexyl-2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-cyclohexyl-2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-cyclohexyl-2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-cyclohexyl-2-(4-ethyl-1-piperazin-4-iumyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-cyclohexyl-2-(4-ethylpiperazin-4-ium-1-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-amino-2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-4-yl]-cyclohexyl-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)NC3CCCCC3)[N+](=O)[O-])N

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC(=C(C(=N2)NC3CCCCC3)[N+](=O)[O-])N

InChI

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