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

Systemtic Name: methyl 1-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C20H25N7O4 MolecularWeight: 427.457

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C20H25N7O4/c1-31-20(28)15-5-8-25(9-6-15)18-17(27(29)30)19(23-14-22-18)26-12-10-24(11-13-26)16-4-2-3-7-21-16/h2-4,7,14-15H,5-6,8-13H2,1H3