tert-butyl 4-[4-(2-fluoranyl-4-methylsulfonyl-phenoxy)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(2-fluoranyl-4-methylsulfonyl-phenoxy)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(2-fluoro-4-methylsulfonyl-phenoxy)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate CAS Name: 4-[4-(2-fluoro-4-methylsulfonylphenoxy)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(2-fluoro-4-methylsulfonylphenoxy)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(2-fluoro-4-mesyl-phenoxy)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-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)N2C3=C(C=N2)C(=NC=N3)OC4=C(C=C(C=C4)S(=O)(=O)C)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N2C3=C(C=N2)C(=NC=N3)OC4=C(C=C(C=C4)S(=O)(=O)C)F

InChI

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