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

Systemtic Name: 6-(4-methylpiperazin-4-ium-1-yl)-N2-(2-morpholin-4-ium-4-ylethyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: 6-(4-methylpiperazin-4-ium-1-yl)-N2-(2-morpholin-4-ium-4-ylethyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-(4-methyl-1-piperazin-4-iumyl)-N2-[2-(4-morpholin-4-iumyl)ethyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 6-(4-methylpiperazin-4-ium-1-yl)-2-N-(2-morpholin-4-ium-4-ylethyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]-(2-morpholin-4-ium-4-ylethyl)amine Formula: C15H28N8O3+2 MolecularWeight: 368.43462

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C(=NC(=N2)NCC[NH+]3CCOCC3)N)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C(=NC(=N2)NCC[NH+]3CCOCC3)N)[N+](=O)[O-]

InChI

InChI=1S/C15H26N8O3/c1-20-4-6-22(7-5-20)14-12(23(24)25)13(16)18-15(19-14)17-2-3-21-8-10-26-11-9-21/h2-11H2,1H3,(H3,16,17,18,19)/p+2