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

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

Isomeric SMILES

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

InChI

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