tert-butyl 3-[2-azanyl-6-[2,6-bis(trifluoromethylsulfonyloxy)phenyl]pyrimidin-4-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[2-azanyl-6-[2,6-bis(trifluoromethylsulfonyloxy)phenyl]pyrimidin-4-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[2-amino-6-[2,6-bis(trifluoromethylsulfonyloxy)phenyl]pyrimidin-4-yl]piperidine-1-carboxylate CAS Name: 3-[2-amino-6-[2,6-bis(trifluoromethylsulfonyloxy)phenyl]-4-pyrimidinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-amino-6-[2,6-bis(trifluoromethylsulfonyloxy)phenyl]pyrimidin-4-yl]piperidine-1-carboxylate Traditional Name: 3-[2-amino-6-(2,6-ditriflyloxyphenyl)pyrimidin-4-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H24F6N4O8S2 MolecularWeight: 650.568379

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C2=NC(=NC(=C2)C3=C(C=CC=C3OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C2=NC(=NC(=C2)C3=C(C=CC=C3OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)N

InChI

InChI=1S/C22H24F6N4O8S2/c1-20(2,3)38-19(33)32-9-5-6-12(11-32)13-10-14(31-18(29)30-13)17-15(39-41(34,35)21(23,24)25)7-4-8-16(17)40-42(36,37)22(26,27)28/h4,7-8,10,12H,5-6,9,11H2,1-3H3,(H2,29,30,31)