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

Systemtic Name: 6-(4-methylpiperazin-4-ium-1-yl)-N2-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: 6-(4-methylpiperazin-4-ium-1-yl)-N2-(3-morpholinopropyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-(4-methyl-1-piperazin-4-iumyl)-N2-[3-(4-morpholinyl)propyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 6-(4-methylpiperazin-4-ium-1-yl)-2-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]-(3-morpholinopropyl)amine Formula: C16H29N8O3+ MolecularWeight: 381.45326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N8O3/c1-21-5-7-23(8-6-21)15-13(24(25)26)14(17)19-16(20-15)18-3-2-4-22-9-11-27-12-10-22/h2-12H2,1H3,(H3,17,18,19,20)/p+1