6-(furan-2-yl)-1,3-dimethyl-N-(3-phenylsulfanylpropyl)pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: 6-(furan-2-yl)-1,3-dimethyl-N-(3-phenylsulfanylpropyl)pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: 6-(2-furyl)-1,3-dimethyl-N-(3-phenylsulfanylpropyl)pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: 6-(2-furanyl)-1,3-dimethyl-N-[3-(phenylthio)propyl]-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 6-(furan-2-yl)-1,3-dimethyl-N-(3-phenylsulfanylpropyl)pyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: 6-(2-furyl)-1,3-dimethyl-N-[3-(phenylthio)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CO3)C(=O)NCCCSC4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CO3)C(=O)NCCCSC4=CC=CC=C4)C

InChI

InChI=1S/C22H22N4O2S/c1-15-20-17(22(27)23-11-7-13-29-16-8-4-3-5-9-16)14-18(19-10-6-12-28-19)24-21(20)26(2)25-15/h3-6,8-10,12,14H,7,11,13H2,1-2H3,(H,23,27)