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

Systemtic Name: ethyl 1-[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-(3-pyridinylmethylamino)-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C18H22N6O4 MolecularWeight: 386.40508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N6O4/c1-2-28-18(25)14-5-8-23(9-6-14)17-15(24(26)27)16(21-12-22-17)20-11-13-4-3-7-19-10-13/h3-4,7,10,12,14H,2,5-6,8-9,11H2,1H3,(H,20,21,22)