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

Systemtic Name: 6-(4-ethylpiperazin-4-ium-1-yl)-N2-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: 6-(4-ethylpiperazin-4-ium-1-yl)-N2-(3-morpholinopropyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-(4-ethyl-1-piperazin-4-iumyl)-N2-[3-(4-morpholinyl)propyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 6-(4-ethylpiperazin-4-ium-1-yl)-2-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]-(3-morpholinopropyl)amine Formula: C17H31N8O3+ MolecularWeight: 395.47984

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C(=NC(=N2)NCCCN3CCOCC3)N)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C(=NC(=N2)NCCCN3CCOCC3)N)[N+](=O)[O-]

InChI

InChI=1S/C17H30N8O3/c1-2-22-6-8-24(9-7-22)16-14(25(26)27)15(18)20-17(21-16)19-4-3-5-23-10-12-28-13-11-23/h2-13H2,1H3,(H3,18,19,20,21)/p+1