1-ethyl-N-[(4-fluorophenyl)methyl]-4-(thian-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: 1-ethyl-N-[(4-fluorophenyl)methyl]-4-(thian-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: 1-ethyl-N-[(4-fluorophenyl)methyl]-4-(tetrahydrothiopyran-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: 1-ethyl-N-[(4-fluorophenyl)methyl]-4-(4-thianylamino)-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 1-ethyl-N-[(4-fluorophenyl)methyl]-4-(thian-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: 1-ethyl-N-(4-fluorobenzyl)-4-(tetrahydrothiopyran-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C21H24FN5OS MolecularWeight: 413.511563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NC=C(C(=C2C=N1)NC3CCSCC3)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

CCN1C2=NC=C(C(=C2C=N1)NC3CCSCC3)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C21H24FN5OS/c1-2-27-20-17(13-25-27)19(26-16-7-9-29-10-8-16)18(12-23-20)21(28)24-11-14-3-5-15(22)6-4-14/h3-6,12-13,16H,2,7-11H2,1H3,(H,23,26)(H,24,28)