ethyl 1-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-nitro-6-(2-pyridylamino)pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-(2-pyridinylamino)-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-nitro-6-(2-pyridylamino)pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C17H20N6O4 MolecularWeight: 372.3785

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N6O4/c1-2-27-17(24)12-6-9-22(10-7-12)16-14(23(25)26)15(19-11-20-16)21-13-5-3-4-8-18-13/h3-5,8,11-12H,2,6-7,9-10H2,1H3,(H,18,19,20,21)