methyl 1-(2-cyanoethyl)-3-methyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: methyl 1-(2-cyanoethyl)-3-methyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: methyl 1-(2-cyanoethyl)-3-methyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1-(2-cyanoethyl)-3-methyl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-cyanoethyl)-3-methyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-(2-cyanoethyl)-3-methyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid methyl ester Formula: C16H14N4O2S MolecularWeight: 326.37296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OC)CCC#N

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OC)CCC#N

InChI

InChI=1S/C16H14N4O2S/c1-10-14-11(16(21)22-2)9-12(13-5-3-8-23-13)18-15(14)20(19-10)7-4-6-17/h3,5,8-9H,4,7H2,1-2H3