1-(4-methylsulfanylphenyl)-5-oxidanylidene-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrrolidine-3-carboxamide

Systemtic Name: 1-(4-methylsulfanylphenyl)-5-oxidanylidene-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrrolidine-3-carboxamide Openeye Name: N-(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)-1-(4-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: 1-[4-(methylthio)phenyl]-5-oxo-N-(1-propan-2-yl-5-pyrazolo[3,4-b]pyridinyl)-3-pyrrolidinecarboxamide IUPAC Name: 1-(4-methylsulfanylphenyl)-5-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrrolidine-3-carboxamide Traditional Name: N-(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)-5-keto-1-[4-(methylthio)phenyl]pyrrolidine-3-carboxamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC=C(C=C2C=N1)NC(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)SC

Isomeric SMILES

CC(C)N1C2=NC=C(C=C2C=N1)NC(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)SC

InChI

InChI=1S/C21H23N5O2S/c1-13(2)26-20-14(10-23-26)8-16(11-22-20)24-21(28)15-9-19(27)25(12-15)17-4-6-18(29-3)7-5-17/h4-8,10-11,13,15H,9,12H2,1-3H3,(H,24,28)