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

Systemtic Name: 6-(4-ethylpiperazin-4-ium-1-yl)-N2-(3-methoxypropyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: 6-(4-ethylpiperazin-4-ium-1-yl)-N2-(3-methoxypropyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-(4-ethyl-1-piperazin-4-iumyl)-N2-(3-methoxypropyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 6-(4-ethylpiperazin-4-ium-1-yl)-2-N-(3-methoxypropyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]-(3-methoxypropyl)amine Formula: C14H26N7O3+ MolecularWeight: 340.40134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H25N7O3/c1-3-19-6-8-20(9-7-19)13-11(21(22)23)12(15)17-14(18-13)16-5-4-10-24-2/h3-10H2,1-2H3,(H3,15,16,17,18)/p+1