3-[1-(2-fluoranyl-4-methylsulfonyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypyrrolidine-1-carboxylic acid

Systemtic Name: 3-[1-(2-fluoranyl-4-methylsulfonyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypyrrolidine-1-carboxylic acid Openeye Name: 3-[1-(2-fluoro-4-methylsulfonyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypyrrolidine-1-carboxylic acid CAS Name: 3-[[1-(2-fluoro-4-methylsulfonylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]oxy]-1-pyrrolidinecarboxylic acid IUPAC Name: 3-[1-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypyrrolidine-1-carboxylic acid Traditional Name: 3-[1-(2-fluoro-4-mesyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypyrrolidine-1-carboxylic acid Formula: C17H16FN5O5S MolecularWeight: 421.402843

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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)OC4CCN(C4)C(=O)O)F

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)OC4CCN(C4)C(=O)O)F

InChI

InChI=1S/C17H16FN5O5S/c1-29(26,27)11-2-3-14(13(18)6-11)23-15-12(7-21-23)16(20-9-19-15)28-10-4-5-22(8-10)17(24)25/h2-3,6-7,9-10H,4-5,8H2,1H3,(H,24,25)