1-ethyl-N-(phenylmethyl)-4-(thiolan-3-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: 1-ethyl-N-(phenylmethyl)-4-(thiolan-3-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: N-benzyl-1-ethyl-4-(tetrahydrothiophen-3-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: 1-ethyl-N-(phenylmethyl)-4-(3-thiolanylamino)-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-benzyl-1-ethyl-4-(thiolan-3-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: N-benzyl-1-ethyl-4-(tetrahydrothiophen-3-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C20H23N5OS MolecularWeight: 381.49452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NC=C(C(=C2C=N1)NC3CCSC3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CCN1C2=NC=C(C(=C2C=N1)NC3CCSC3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C20H23N5OS/c1-2-25-19-16(12-23-25)18(24-15-8-9-27-13-15)17(11-21-19)20(26)22-10-14-6-4-3-5-7-14/h3-7,11-12,15H,2,8-10,13H2,1H3,(H,21,24)(H,22,26)