2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)ethanamide

Systemtic Name: 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)ethanamide Openeye Name: N-(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide CAS Name: 2-[2-[(methylthio)methyl]-1-benzimidazolyl]-N-(1-propan-2-yl-5-pyrazolo[3,4-b]pyridinyl)acetamide IUPAC Name: 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide Traditional Name: N-(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)-2-[2-[(methylthio)methyl]benzimidazol-1-yl]acetamide Formula: C20H22N6OS MolecularWeight: 394.49328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC=C(C=C2C=N1)NC(=O)CN3C4=CC=CC=C4N=C3CSC

Isomeric SMILES

CC(C)N1C2=NC=C(C=C2C=N1)NC(=O)CN3C4=CC=CC=C4N=C3CSC

InChI

InChI=1S/C20H22N6OS/c1-13(2)26-20-14(9-22-26)8-15(10-21-20)23-19(27)11-25-17-7-5-4-6-16(17)24-18(25)12-28-3/h4-10,13H,11-12H2,1-3H3,(H,23,27)