ethyl 1-[6-(3-bicyclo[2.2.1]heptanylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-(3-bicyclo[2.2.1]heptanylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-nitro-6-(norbornan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(3-bicyclo[2.2.1]heptanylamino)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(3-bicyclo[2.2.1]heptanylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-nitro-6-(2-norbornylamino)pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C19H27N5O4 MolecularWeight: 389.44878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3CC4CCC3C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3CC4CCC3C4)[N+](=O)[O-]

InChI

InChI=1S/C19H27N5O4/c1-2-28-19(25)13-5-7-23(8-6-13)18-16(24(26)27)17(20-11-21-18)22-15-10-12-3-4-14(15)9-12/h11-15H,2-10H2,1H3,(H,20,21,22)