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

Systemtic Name: tert-butyl 4-[[6-[(2-fluoranyl-4-methylsulfonyl-phenyl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[6-(2-fluoro-4-methylsulfonyl-anilino)pyrimidin-4-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[6-(2-fluoro-4-methylsulfonylanilino)-4-pyrimidinyl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[6-(2-fluoro-4-methylsulfonylanilino)pyrimidin-4-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[6-(2-fluoro-4-mesyl-anilino)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H28FN5O4S MolecularWeight: 465.541523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)NC2=NC=NC(=C2)NC3=C(C=C(C=C3)S(=O)(=O)C)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)NC2=NC=NC(=C2)NC3=C(C=C(C=C3)S(=O)(=O)C)F

InChI

InChI=1S/C21H28FN5O4S/c1-21(2,3)31-20(28)27-9-7-14(8-10-27)25-18-12-19(24-13-23-18)26-17-6-5-15(11-16(17)22)32(4,29)30/h5-6,11-14H,7-10H2,1-4H3,(H2,23,24,25,26)