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

Systemtic Name: methyl 1-[5-nitro-6-[(phenylmethyl)-pyridin-2-yl-amino]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-[benzyl(2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-[(phenylmethyl)-(2-pyridinyl)amino]-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-[benzyl(pyridin-2-yl)amino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[benzyl(2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C23H24N6O4 MolecularWeight: 448.47446

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C23H24N6O4/c1-33-23(30)18-10-13-27(14-11-18)21-20(29(31)32)22(26-16-25-21)28(19-9-5-6-12-24-19)15-17-7-3-2-4-8-17/h2-9,12,16,18H,10-11,13-15H2,1H3