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

Systemtic Name: 6-(4-ethylpiperazin-4-ium-1-yl)-2-(4-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-ethylpiperazin-4-ium-1-yl)-2-(4-methyl-1-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-ethyl-1-piperazin-4-iumyl)-2-(4-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-ethylpiperazin-4-ium-1-yl)-2-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-ethylpiperazin-4-ium-1-yl)-2-(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=C(C(=NC(=N2)N3CCC(CC3)C)N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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