methyl 4-[[(1-ethyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridin-4-yl)carbonyl-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[(1-ethyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridin-4-yl)carbonyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[[1-ethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carbonyl]-methyl-amino]methyl]benzoate CAS Name: 4-[[[(1-ethyl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinyl)-oxomethyl]-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(1-ethyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)-methylamino]methyl]benzoate Traditional Name: 4-[[[1-ethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carbonyl]-methyl-amino]methyl]benzoic acid methyl ester Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)N(C)CC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)N(C)CC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C23H22N4O3S/c1-4-27-21-18(13-24-27)17(12-19(25-21)20-6-5-11-31-20)22(28)26(2)14-15-7-9-16(10-8-15)23(29)30-3/h5-13H,4,14H2,1-3H3