methyl 2-[(1-propan-2-yl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridin-4-yl)carbonylamino]benzoate

Systemtic Name: methyl 2-[(1-propan-2-yl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridin-4-yl)carbonylamino]benzoate Openeye Name: methyl 2-[[1-isopropyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carbonyl]amino]benzoate CAS Name: 2-[[oxo-(1-propan-2-yl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(1-propan-2-yl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]benzoate Traditional Name: 2-[[1-isopropyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carbonyl]amino]benzoic acid methyl ester Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C22H20N4O3S/c1-13(2)26-20-16(12-23-26)15(11-18(24-20)19-9-6-10-30-19)21(27)25-17-8-5-4-7-14(17)22(28)29-3/h4-13H,1-3H3,(H,25,27)