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

Systemtic Name: 6-(4-methylpiperidin-1-yl)-N2-(3-morpholin-4-ium-4-ylpropyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: 6-(4-methyl-1-piperidyl)-N2-(3-morpholin-4-ium-4-ylpropyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-(4-methyl-1-piperidinyl)-N2-[3-(4-morpholin-4-iumyl)propyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 6-(4-methylpiperidin-1-yl)-2-N-(3-morpholin-4-ium-4-ylpropyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-methylpiperidino)-5-nitro-pyrimidin-2-yl]-(3-morpholin-4-ium-4-ylpropyl)amine Formula: C17H30N7O3+ MolecularWeight: 380.4652

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C(=NC(=N2)NCCC[NH+]3CCOCC3)N)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C(=NC(=N2)NCCC[NH+]3CCOCC3)N)[N+](=O)[O-]

InChI

InChI=1S/C17H29N7O3/c1-13-3-7-23(8-4-13)16-14(24(25)26)15(18)20-17(21-16)19-5-2-6-22-9-11-27-12-10-22/h13H,2-12H2,1H3,(H3,18,19,20,21)/p+1