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

Systemtic Name: 2-(azepan-1-yl)-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 2-(azepan-1-yl)-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: 2-(1-azepanyl)-6-(4-methyl-1-piperazin-4-iumyl)-5-nitro-4-pyrimidinamine IUPAC Name: 2-(azepan-1-yl)-6-(4-methylpiperazin-4-ium-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [2-(azepan-1-yl)-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-4-yl]amine Formula: C15H26N7O2+ MolecularWeight: 336.41264

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C(=NC(=N2)N3CCCCCC3)N)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C(=NC(=N2)N3CCCCCC3)N)[N+](=O)[O-]

InChI

InChI=1S/C15H25N7O2/c1-19-8-10-20(11-9-19)14-12(22(23)24)13(16)17-15(18-14)21-6-4-2-3-5-7-21/h2-11H2,1H3,(H2,16,17,18)/p+1