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

Systemtic Name: tert-butyl 4-[[6-[(2-fluoranyl-4-methylsulfonyl-phenyl)amino]pyrimidin-4-yl]-methyl-amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[6-(2-fluoro-4-methylsulfonyl-anilino)pyrimidin-4-yl]-methyl-amino]piperidine-1-carboxylate CAS Name: 4-[[6-(2-fluoro-4-methylsulfonylanilino)-4-pyrimidinyl]-methylamino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[6-(2-fluoro-4-methylsulfonylanilino)pyrimidin-4-yl]-methylamino]piperidine-1-carboxylate Traditional Name: 4-[[6-(2-fluoro-4-mesyl-anilino)pyrimidin-4-yl]-methyl-amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H30FN5O4S MolecularWeight: 479.568103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30FN5O4S/c1-22(2,3)32-21(29)28-10-8-15(9-11-28)27(4)20-13-19(24-14-25-20)26-18-7-6-16(12-17(18)23)33(5,30)31/h6-7,12-15H,8-11H2,1-5H3,(H,24,25,26)