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

Systemtic Name: methyl 1-[5-nitro-6-(pyridin-4-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[5-nitro-6-(4-pyridylamino)pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-(pyridin-4-ylamino)-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[5-nitro-6-(pyridin-4-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-nitro-6-(4-pyridylamino)pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C16H18N6O4 MolecularWeight: 358.35192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N6O4/c1-26-16(23)11-4-8-21(9-5-11)15-13(22(24)25)14(18-10-19-15)20-12-2-6-17-7-3-12/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,17,18,19,20)