6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: 6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: 6-(2,5-dimethyl-3-thienyl)-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-(2,5-dimethyl-3-thiophenyl)-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylate IUPAC Name: 6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 6-(2,5-dimethyl-3-thienyl)-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carboxylate Formula: C16H16N3O2S- MolecularWeight: 314.38214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C2=NC3=C(C=NN3C(C)C)C(=C2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(S1)C)C2=NC3=C(C=NN3C(C)C)C(=C2)C(=O)[O-]

InChI

InChI=1S/C16H17N3O2S/c1-8(2)19-15-13(7-17-19)12(16(20)21)6-14(18-15)11-5-9(3)22-10(11)4/h5-8H,1-4H3,(H,20,21)/p-1