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

Systemtic Name: 6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-2-pyrrolidin-1-yl-pyrimidin-4-amine Openeye Name: 6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-2-pyrrolidin-1-yl-pyrimidin-4-amine CAS Name: 6-(4-methyl-1-piperazin-4-iumyl)-5-nitro-2-(1-pyrrolidinyl)-4-pyrimidinamine IUPAC Name: 6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-2-pyrrolidin-1-ylpyrimidin-4-amine Traditional Name: [6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-2-pyrrolidino-pyrimidin-4-yl]amine Formula: C13H22N7O2+ MolecularWeight: 308.35948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N7O2/c1-17-6-8-18(9-7-17)12-10(20(21)22)11(14)15-13(16-12)19-4-2-3-5-19/h2-9H2,1H3,(H2,14,15,16)/p+1