N-(6-fluoranyl-1,3-benzothiazol-2-yl)-1-(phenylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-1-(phenylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: 1-benzyl-N-(6-fluoro-1,3-benzothiazol-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-1-(phenylmethyl)-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 1-benzyl-N-(6-fluoro-1,3-benzothiazol-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: 1-benzyl-N-(6-fluoro-1,3-benzothiazol-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C21H14FN5OS MolecularWeight: 403.432163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=NC=C(C=C3C=N2)C(=O)NC4=NC5=C(S4)C=C(C=C5)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=NC=C(C=C3C=N2)C(=O)NC4=NC5=C(S4)C=C(C=C5)F

InChI

InChI=1S/C21H14FN5OS/c22-16-6-7-17-18(9-16)29-21(25-17)26-20(28)15-8-14-11-24-27(19(14)23-10-15)12-13-4-2-1-3-5-13/h1-11H,12H2,(H,25,26,28)