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

Systemtic Name: N2-(3-morpholin-4-ium-4-ylpropyl)-5-nitro-6-piperidin-1-yl-pyrimidine-2,4-diamine Openeye Name: N2-(3-morpholin-4-ium-4-ylpropyl)-5-nitro-6-(1-piperidyl)pyrimidine-2,4-diamine CAS Name: N2-[3-(4-morpholin-4-iumyl)propyl]-5-nitro-6-(1-piperidinyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-(3-morpholin-4-ium-4-ylpropyl)-5-nitro-6-piperidin-1-ylpyrimidine-2,4-diamine Traditional Name: (4-amino-5-nitro-6-piperidino-pyrimidin-2-yl)-(3-morpholin-4-ium-4-ylpropyl)amine Formula: C16H28N7O3+ MolecularWeight: 366.43862

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=NC(=N2)NCCC[NH+]3CCOCC3)N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C(=NC(=N2)NCCC[NH+]3CCOCC3)N)[N+](=O)[O-]

InChI

InChI=1S/C16H27N7O3/c17-14-13(23(24)25)15(22-7-2-1-3-8-22)20-16(19-14)18-5-4-6-21-9-11-26-12-10-21/h1-12H2,(H3,17,18,19,20)/p+1