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

Systemtic Name: ethyl 1-ethyl-4-(thian-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 1-ethyl-4-(tetrahydrothiopyran-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-ethyl-4-(4-thianylamino)-5-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-4-(thian-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-ethyl-4-(tetrahydrothiopyran-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NC=C(C(=C2C=N1)NC3CCSCC3)C(=O)OCC

Isomeric SMILES

CCN1C2=NC=C(C(=C2C=N1)NC3CCSCC3)C(=O)OCC

InChI

InChI=1S/C16H22N4O2S/c1-3-20-15-12(10-18-20)14(19-11-5-7-23-8-6-11)13(9-17-15)16(21)22-4-2/h9-11H,3-8H2,1-2H3,(H,17,19)