ethyl 1-[6-[(5-bromanylpyridin-2-yl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-[(5-bromanylpyridin-2-yl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[(5-bromo-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[(5-bromo-2-pyridinyl)amino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[(5-bromopyridin-2-yl)amino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[(5-bromo-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C17H19BrN6O4 MolecularWeight: 451.27456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrN6O4/c1-2-28-17(25)11-5-7-23(8-6-11)16-14(24(26)27)15(20-10-21-16)22-13-4-3-12(18)9-19-13/h3-4,9-11H,2,5-8H2,1H3,(H,19,20,21,22)