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

Systemtic Name: cyclopropylmethyl 4-[1-(2-fluoranyl-4-methylsulfonyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylpiperidine-1-carboxylate Openeye Name: cyclopropylmethyl 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 cyclopropylmethyl ester IUPAC Name: cyclopropylmethyl 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 cyclopropylmethyl ester Formula: C22H24FN5O4S2 MolecularWeight: 505.585463

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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)OCC5CC5)F

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SC4CCN(CC4)C(=O)OCC5CC5)F

InChI

InChI=1S/C22H24FN5O4S2/c1-34(30,31)16-4-5-19(18(23)10-16)28-20-17(11-26-28)21(25-13-24-20)33-15-6-8-27(9-7-15)22(29)32-12-14-2-3-14/h4-5,10-11,13-15H,2-3,6-9,12H2,1H3