tert-butyl 4-[5-cyano-6-[(3-fluoranyl-4-methylsulfonyl-phenyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-cyano-6-[(3-fluoranyl-4-methylsulfonyl-phenyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate Openeye Name: tert-butyl 4-[5-cyano-6-(3-fluoro-4-methylsulfonyl-anilino)pyrimidin-4-yl]oxypiperidine-1-carboxylate CAS Name: 4-[[5-cyano-6-(3-fluoro-4-methylsulfonylanilino)-4-pyrimidinyl]oxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-cyano-6-(3-fluoro-4-methylsulfonylanilino)pyrimidin-4-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[5-cyano-6-(3-fluoro-4-mesyl-anilino)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid tert-butyl ester Formula: C22H26FN5O5S MolecularWeight: 491.535743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)OC2=NC=NC(=C2C#N)NC3=CC(=C(C=C3)S(=O)(=O)C)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OC2=NC=NC(=C2C#N)NC3=CC(=C(C=C3)S(=O)(=O)C)F

InChI

InChI=1S/C22H26FN5O5S/c1-22(2,3)33-21(29)28-9-7-15(8-10-28)32-20-16(12-24)19(25-13-26-20)27-14-5-6-18(17(23)11-14)34(4,30)31/h5-6,11,13,15H,7-10H2,1-4H3,(H,25,26,27)