tert-butyl 4-[5-azanyl-6-[(2-fluoranyl-4-methylsulfonyl-phenyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-azanyl-6-[(2-fluoranyl-4-methylsulfonyl-phenyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate Openeye Name: tert-butyl 4-[5-amino-6-(2-fluoro-4-methylsulfonyl-anilino)pyrimidin-4-yl]oxypiperidine-1-carboxylate CAS Name: 4-[[5-amino-6-(2-fluoro-4-methylsulfonylanilino)-4-pyrimidinyl]oxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-amino-6-(2-fluoro-4-methylsulfonylanilino)pyrimidin-4-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[5-amino-6-(2-fluoro-4-mesyl-anilino)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid tert-butyl ester Formula: C21H28FN5O5S MolecularWeight: 481.540923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)OC2=NC=NC(=C2N)NC3=C(C=C(C=C3)S(=O)(=O)C)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OC2=NC=NC(=C2N)NC3=C(C=C(C=C3)S(=O)(=O)C)F

InChI

InChI=1S/C21H28FN5O5S/c1-21(2,3)32-20(28)27-9-7-13(8-10-27)31-19-17(23)18(24-12-25-19)26-16-6-5-14(11-15(16)22)33(4,29)30/h5-6,11-13H,7-10,23H2,1-4H3,(H,24,25,26)