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

Systemtic Name: 1-ethyl-N-(phenylmethyl)-4-(thian-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: N-benzyl-1-ethyl-4-(tetrahydrothiopyran-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: 1-ethyl-N-(phenylmethyl)-4-(4-thianylamino)-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-benzyl-1-ethyl-4-(thian-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: N-benzyl-1-ethyl-4-(tetrahydrothiopyran-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5OS/c1-2-26-20-17(14-24-26)19(25-16-8-10-28-11-9-16)18(13-22-20)21(27)23-12-15-6-4-3-5-7-15/h3-7,13-14,16H,2,8-12H2,1H3,(H,22,25)(H,23,27)