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

Systemtic Name: methyl 4-[(1-ethyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridin-4-yl)carbonylamino]butanoate Openeye Name: methyl 4-[[1-ethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carbonyl]amino]butanoate CAS Name: 4-[[(1-ethyl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinyl)-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(1-ethyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoate Traditional Name: 4-[[1-ethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carbonyl]amino]butyric acid methyl ester Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)NCCCC(=O)OC

Isomeric SMILES

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)NCCCC(=O)OC

InChI

InChI=1S/C18H20N4O3S/c1-3-22-17-13(11-20-22)12(10-14(21-17)15-6-5-9-26-15)18(24)19-8-4-7-16(23)25-2/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,19,24)