ethyl 1-[5-nitro-6-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-nitro-6-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-nitro-6-[2-(3-pyridyl)ethylamino]pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-[2-(3-pyridinyl)ethylamino]-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-nitro-6-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-nitro-6-[2-(3-pyridyl)ethylamino]pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C19H24N6O4 MolecularWeight: 400.43166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCCC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCCC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H24N6O4/c1-2-29-19(26)15-6-10-24(11-7-15)18-16(25(27)28)17(22-13-23-18)21-9-5-14-4-3-8-20-12-14/h3-4,8,12-13,15H,2,5-7,9-11H2,1H3,(H,21,22,23)