pyridin-2-ylmethyl 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-6-cyclopropyl-3-methyl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: pyridin-2-ylmethyl 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-6-cyclopropyl-3-methyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: 2-pyridylmethyl 6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-3-methyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-cyclopropyl-1-(1,1-dioxo-3-thiolanyl)-3-methyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 6-cyclopropyl-1-(1,1-diketothiolan-3-yl)-3-methyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid 2-pyridylmethyl ester Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)OCC4=CC=CC=N4)C5CCS(=O)(=O)C5

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)OCC4=CC=CC=N4)C5CCS(=O)(=O)C5

InChI

InChI=1S/C21H22N4O4S/c1-13-19-17(21(26)29-11-15-4-2-3-8-22-15)10-18(14-5-6-14)23-20(19)25(24-13)16-7-9-30(27,28)12-16/h2-4,8,10,14,16H,5-7,9,11-12H2,1H3