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

Systemtic Name: methyl 1-[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H20N6O4 MolecularWeight: 372.3785

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N6O4/c1-27-17(24)13-4-7-22(8-5-13)16-14(23(25)26)15(20-11-21-16)19-10-12-3-2-6-18-9-12/h2-3,6,9,11,13H,4-5,7-8,10H2,1H3,(H,19,20,21)