N2-(3-methoxypropyl)-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-(3-methoxypropyl)-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(3-methoxypropyl)-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(3-methoxypropyl)-6-(4-methyl-1-piperazin-4-iumyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(3-methoxypropyl)-6-(4-methylpiperazin-4-ium-1-yl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]-(3-methoxypropyl)amine Formula: C13H24N7O3+ MolecularWeight: 326.37476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23N7O3/c1-18-5-7-19(8-6-18)12-10(20(21)22)11(14)16-13(17-12)15-4-3-9-23-2/h3-9H2,1-2H3,(H3,14,15,16,17)/p+1