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

Systemtic Name: methyl 4-[(1,3-dimethyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridin-4-yl)carbonylamino]benzoate Openeye Name: methyl 4-[[1,3-dimethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carbonyl]amino]benzoate CAS Name: 4-[[(1,3-dimethyl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]benzoate Traditional Name: 4-[[1,3-dimethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carbonyl]amino]benzoic acid methyl ester Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)NC4=CC=C(C=C4)C(=O)OC)C

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)NC4=CC=C(C=C4)C(=O)OC)C

InChI

InChI=1S/C21H18N4O3S/c1-12-18-15(20(26)22-14-8-6-13(7-9-14)21(27)28-3)11-16(17-5-4-10-29-17)23-19(18)25(2)24-12/h4-11H,1-3H3,(H,22,26)