methyl 2-[1-(1-ethyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridin-4-yl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[1-(1-ethyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridin-4-yl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-[1-ethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carbonyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(1-ethyl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(1-ethyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[1-ethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carbonyl]-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)N4CCNC(=O)C4CC(=O)OC

Isomeric SMILES

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)N4CCNC(=O)C4CC(=O)OC

InChI

InChI=1S/C20H21N5O4S/c1-3-25-18-13(11-22-25)12(9-14(23-18)16-5-4-8-30-16)20(28)24-7-6-21-19(27)15(24)10-17(26)29-2/h4-5,8-9,11,15H,3,6-7,10H2,1-2H3,(H,21,27)