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

Systemtic Name: ethyl 1-[6-[(2-methylquinolin-5-yl)amino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-[(2-methyl-5-quinolyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-[(2-methyl-5-quinolinyl)amino]-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[(2-methylquinolin-5-yl)amino]-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-[(2-methyl-5-quinolyl)amino]-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C22H24N6O4 MolecularWeight: 436.46376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NC3=CC=CC4=C3C=CC(=N4)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NC3=CC=CC4=C3C=CC(=N4)C)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O4/c1-3-32-22(29)15-6-5-11-27(12-15)21-19(28(30)31)20(23-13-24-21)26-18-8-4-7-17-16(18)10-9-14(2)25-17/h4,7-10,13,15H,3,5-6,11-12H2,1-2H3,(H,23,24,26)