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

Systemtic Name: 4-[1-(2-fluoranyl-4-methylsulfonyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylpiperidine-1-carboxylic acid Openeye Name: 4-[1-(2-fluoro-4-methylsulfonyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylpiperidine-1-carboxylic acid CAS Name: 4-[[1-(2-fluoro-4-methylsulfonylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-1-piperidinecarboxylic acid IUPAC Name: 4-[1-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylpiperidine-1-carboxylic acid Traditional Name: 4-[[1-(2-fluoro-4-mesyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]piperidine-1-carboxylic acid Formula: C18H18FN5O4S2 MolecularWeight: 451.495023

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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)O)F

Isomeric SMILES

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

InChI

InChI=1S/C18H18FN5O4S2/c1-30(27,28)12-2-3-15(14(19)8-12)24-16-13(9-22-24)17(21-10-20-16)29-11-4-6-23(7-5-11)18(25)26/h2-3,8-11H,4-7H2,1H3,(H,25,26)