[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 6-(furan-2-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 6-(furan-2-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 6-(2-furyl)-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-(2-furanyl)-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 6-(2-furyl)-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C25H26N4O4S MolecularWeight: 478.56334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CO3)C(=O)OCC(=O)NCCCSC4=CC=CC=C4

Isomeric SMILES

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CO3)C(=O)OCC(=O)NCCCSC4=CC=CC=C4

InChI

InChI=1S/C25H26N4O4S/c1-17(2)29-24-20(15-27-29)19(14-21(28-24)22-10-6-12-32-22)25(31)33-16-23(30)26-11-7-13-34-18-8-4-3-5-9-18/h3-6,8-10,12,14-15,17H,7,11,13,16H2,1-2H3,(H,26,30)