N-(1-methyl-6-oxidanylidene-4-thiophen-2-yl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-(1-methyl-6-oxidanylidene-4-thiophen-2-yl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[1-methyl-6-oxo-4-(2-thienyl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]acetamide CAS Name: N-(1-methyl-6-oxo-4-thiophen-2-yl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-(1-methyl-6-oxo-4-thiophen-2-yl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide Traditional Name: 2-(benzylthio)-N-[6-keto-1-methyl-4-(2-thienyl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]acetamide Formula: C20H20N4O2S2 MolecularWeight: 412.5284

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=O)CC(C2=C(N1)NC(=O)CSCC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CN1C2=NC(=O)CC(C2=C(N1)NC(=O)CSCC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C20H20N4O2S2/c1-24-20-18(14(10-16(25)22-20)15-8-5-9-28-15)19(23-24)21-17(26)12-27-11-13-6-3-2-4-7-13/h2-9,14,23H,10-12H2,1H3,(H,21,26)