5-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-N-octyl-furan-2-sulfinamide

Systemtic Name: 5-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-N-octyl-furan-2-sulfinamide Openeye Name: 5-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-N-octyl-furan-2-sulfinamide CAS Name: 5-[1-[(2-fluorophenyl)methyl]-3-pyrazolo[3,4-b]pyridinyl]-N-octyl-2-furansulfinamide IUPAC Name: 5-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-N-octylfuran-2-sulfinamide Traditional Name: 5-[1-(2-fluorobenzyl)pyrazolo[3,4-b]pyridin-3-yl]-N-octyl-furan-2-sulfinamide Formula: C25H29FN4O2S MolecularWeight: 468.586763

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNS(=O)C1=CC=C(O1)C2=NN(C3=C2C=CC=N3)CC4=CC=CC=C4F

Isomeric SMILES

CCCCCCCCNS(=O)C1=CC=C(O1)C2=NN(C3=C2C=CC=N3)CC4=CC=CC=C4F

InChI

InChI=1S/C25H29FN4O2S/c1-2-3-4-5-6-9-17-28-33(31)23-15-14-22(32-23)24-20-12-10-16-27-25(20)30(29-24)18-19-11-7-8-13-21(19)26/h7-8,10-16,28H,2-6,9,17-18H2,1H3