ethyl 1-[5-nitro-6-(pyridin-3-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-nitro-6-(pyridin-3-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-nitro-6-(3-pyridylamino)pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-(3-pyridinylamino)-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-nitro-6-(pyridin-3-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-nitro-6-(3-pyridylamino)pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C17H20N6O4 MolecularWeight: 372.3785

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=CN=CC=C3)[N+](=O)[O-]

InChI

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