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

Systemtic Name: ethyl 1-[6-[bis(pyridin-2-ylmethyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[bis(2-pyridylmethyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[bis(2-pyridinylmethyl)amino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[bis(pyridin-2-ylmethyl)amino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[bis(2-pyridylmethyl)amino]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C24H27N7O4 MolecularWeight: 477.51568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)N(CC3=CC=CC=N3)CC4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)N(CC3=CC=CC=N3)CC4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C24H27N7O4/c1-2-35-24(32)18-9-13-29(14-10-18)22-21(31(33)34)23(28-17-27-22)30(15-19-7-3-5-11-25-19)16-20-8-4-6-12-26-20/h3-8,11-12,17-18H,2,9-10,13-16H2,1H3