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

Systemtic Name: ethyl 1-[5-nitro-6-[(phenylmethyl)-pyridin-2-yl-amino]pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-[benzyl(2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[5-nitro-6-[(phenylmethyl)-(2-pyridinyl)amino]-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[benzyl(pyridin-2-yl)amino]-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-[benzyl(2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C24H26N6O4 MolecularWeight: 462.50104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C24H26N6O4/c1-2-34-24(31)19-11-8-14-28(16-19)22-21(30(32)33)23(27-17-26-22)29(20-12-6-7-13-25-20)15-18-9-4-3-5-10-18/h3-7,9-10,12-13,17,19H,2,8,11,14-16H2,1H3