6-cyclopropyl-1-methyl-3-oxidanylidene-N-[2-(phenylmethylsulfanyl)ethyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: 6-cyclopropyl-1-methyl-3-oxidanylidene-N-[2-(phenylmethylsulfanyl)ethyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-6-cyclopropyl-1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: 6-cyclopropyl-1-methyl-3-oxo-N-[2-(phenylmethylthio)ethyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-6-cyclopropyl-1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-6-cyclopropyl-3-keto-1-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=CC(=N2)C3CC3)C(=O)NCCSCC4=CC=CC=C4)C(=O)N1

Isomeric SMILES

CN1C2=C(C(=CC(=N2)C3CC3)C(=O)NCCSCC4=CC=CC=C4)C(=O)N1

InChI

InChI=1S/C20H22N4O2S/c1-24-18-17(20(26)23-24)15(11-16(22-18)14-7-8-14)19(25)21-9-10-27-12-13-5-3-2-4-6-13/h2-6,11,14H,7-10,12H2,1H3,(H,21,25)(H,23,26)