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

Systemtic Name: 3-cyanopropyl 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-6-cyclopropyl-3-methyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: 3-cyanopropyl 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 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 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 3-cyanopropyl ester Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)OCCCC#N)C4CCS(=O)(=O)C4

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)OCCCC#N)C4CCS(=O)(=O)C4

InChI

InChI=1S/C19H22N4O4S/c1-12-17-15(19(24)27-8-3-2-7-20)10-16(13-4-5-13)21-18(17)23(22-12)14-6-9-28(25,26)11-14/h10,13-14H,2-6,8-9,11H2,1H3