cyclobutylmethyl 4-[1-(2-fluoranyl-4-methylsulfonyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylpiperidine-1-carboxylate

Systemtic Name: cyclobutylmethyl 4-[1-(2-fluoranyl-4-methylsulfonyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylpiperidine-1-carboxylate Openeye Name: cyclobutylmethyl 4-[1-(2-fluoro-4-methylsulfonyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylpiperidine-1-carboxylate CAS Name: 4-[[1-(2-fluoro-4-methylsulfonylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-1-piperidinecarboxylic acid cyclobutylmethyl ester IUPAC Name: cyclobutylmethyl 4-[1-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylpiperidine-1-carboxylate Traditional Name: 4-[[1-(2-fluoro-4-mesyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]piperidine-1-carboxylic acid cyclobutylmethyl ester Formula: C23H26FN5O4S2 MolecularWeight: 519.612043

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SC4CCN(CC4)C(=O)OCC5CCC5)F

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SC4CCN(CC4)C(=O)OCC5CCC5)F

InChI

InChI=1S/C23H26FN5O4S2/c1-35(31,32)17-5-6-20(19(24)11-17)29-21-18(12-27-29)22(26-14-25-21)34-16-7-9-28(10-8-16)23(30)33-13-15-3-2-4-15/h5-6,11-12,14-16H,2-4,7-10,13H2,1H3