ethyl 4-[[6-[[4-fluoranyl-3-(trifluoromethyl)phenyl]methylamino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[6-[[4-fluoranyl-3-(trifluoromethyl)phenyl]methylamino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[6-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[6-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-5-nitro-4-pyrimidinyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[6-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-5-nitropyrimidin-4-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[6-[[4-fluoro-3-(trifluoromethyl)benzyl]amino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C20H22F4N6O4 MolecularWeight: 486.420093

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2=C(C(=NC=N2)NCC3=CC(=C(C=C3)F)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=C(C(=NC=N2)NCC3=CC(=C(C=C3)F)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H22F4N6O4/c1-2-34-19(31)29-7-5-13(6-8-29)28-18-16(30(32)33)17(26-11-27-18)25-10-12-3-4-15(21)14(9-12)20(22,23)24/h3-4,9,11,13H,2,5-8,10H2,1H3,(H2,25,26,27,28)