ethyl 1-[6-[[1-(4-fluorophenyl)-2-methyl-propan-2-yl]amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-[[1-(4-fluorophenyl)-2-methyl-propan-2-yl]amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[[2-(4-fluorophenyl)-1,1-dimethyl-ethyl]amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[[2-(4-fluorophenyl)-1,1-dimethyl-ethyl]amino]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C22H28FN5O4 MolecularWeight: 445.487223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC(C)(C)CC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC(C)(C)CC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C22H28FN5O4/c1-4-32-21(29)16-9-11-27(12-10-16)20-18(28(30)31)19(24-14-25-20)26-22(2,3)13-15-5-7-17(23)8-6-15/h5-8,14,16H,4,9-13H2,1-3H3,(H,24,25,26)