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

Systemtic Name: 2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-amine Openeye Name: 2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-amine CAS Name: 2-(4-ethyl-1-piperazin-4-iumyl)-5-nitro-6-(1-pyrrolidinyl)-4-pyrimidinamine IUPAC Name: 2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine Traditional Name: [2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-6-pyrrolidino-pyrimidin-4-yl]amine Formula: C14H24N7O2+ MolecularWeight: 322.38606

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C14H23N7O2/c1-2-18-7-9-20(10-8-18)14-16-12(15)11(21(22)23)13(17-14)19-5-3-4-6-19/h2-10H2,1H3,(H2,15,16,17)/p+1