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

Systemtic Name: methyl 4-chloranyl-3-[(1-propan-2-yl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridin-4-yl)carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[[1-isopropyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carbonyl]amino]benzoate CAS Name: 4-chloro-3-[[oxo-(1-propan-2-yl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(1-propan-2-yl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]benzoate Traditional Name: 4-chloro-3-[[1-isopropyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carbonyl]amino]benzoic acid methyl ester Formula: C22H19ClN4O3S MolecularWeight: 454.92926

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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=C(C=CC(=C4)C(=O)OC)Cl

Isomeric SMILES

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=C(C=CC(=C4)C(=O)OC)Cl

InChI

InChI=1S/C22H19ClN4O3S/c1-12(2)27-20-15(11-24-27)14(10-18(25-20)19-5-4-8-31-19)21(28)26-17-9-13(22(29)30-3)6-7-16(17)23/h4-12H,1-3H3,(H,26,28)