1-[6-(3-morpholin-4-ylpropylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-(3-morpholin-4-ylpropylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-[3-(4-morpholinyl)propylamino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-(3-morpholin-4-ylpropylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C17H26N6O5 MolecularWeight: 394.42554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)NCCCN3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)NCCCN3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H26N6O5/c24-17(25)13-2-6-22(7-3-13)16-14(23(26)27)15(19-12-20-16)18-4-1-5-21-8-10-28-11-9-21/h12-13H,1-11H2,(H,24,25)(H,18,19,20)