3-cyanopropyl 1-propan-2-yl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: 3-cyanopropyl 1-propan-2-yl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: 3-cyanopropyl 1-isopropyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1-propan-2-yl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 1-propan-2-yl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-isopropyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid 3-cyanopropyl ester Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)OCCCC#N

Isomeric SMILES

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)OCCCC#N

InChI

InChI=1S/C18H18N4O2S/c1-12(2)22-17-14(11-20-22)13(18(23)24-8-4-3-7-19)10-15(21-17)16-6-5-9-25-16/h5-6,9-12H,3-4,8H2,1-2H3