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

Systemtic Name: methyl 4-[(1-ethyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridin-4-yl)carbonyl-methyl-amino]butanoate Openeye Name: methyl 4-[[1-ethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carbonyl]-methyl-amino]butanoate CAS Name: 4-[[(1-ethyl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinyl)-oxomethyl]-methylamino]butanoic acid methyl ester IUPAC Name: methyl 4-[(1-ethyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)-methylamino]butanoate Traditional Name: 4-[[1-ethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carbonyl]-methyl-amino]butyric acid methyl ester Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O3S/c1-4-23-18-14(12-20-23)13(11-15(21-18)16-7-6-10-27-16)19(25)22(2)9-5-8-17(24)26-3/h6-7,10-12H,4-5,8-9H2,1-3H3