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

Systemtic Name: 6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-2-pyrrolidin-1-yl-pyrimidin-4-amine Openeye Name: 6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-2-pyrrolidin-1-yl-pyrimidin-4-amine CAS Name: 6-(4-ethyl-1-piperazin-4-iumyl)-5-nitro-2-(1-pyrrolidinyl)-4-pyrimidinamine IUPAC Name: 6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-2-pyrrolidin-1-ylpyrimidin-4-amine Traditional Name: [6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-2-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=C(C(=NC(=N2)N3CCCC3)N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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