2-(benzimidazol-1-yl)-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]ethanamide

Systemtic Name: 2-(benzimidazol-1-yl)-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]ethanamide Openeye Name: 2-(benzimidazol-1-yl)-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]acetamide CAS Name: 2-(1-benzimidazolyl)-N-[2-[6-(methylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]acetamide IUPAC Name: 2-(benzimidazol-1-yl)-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]acetamide Traditional Name: 2-(benzimidazol-1-yl)-N-[2-[6-(methylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]acetamide Formula: C21H24N8OS MolecularWeight: 436.53326

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CCNC(=O)CN3C=NC4=CC=CC=C43)C(=N1)N5CCCC5

Isomeric SMILES

CSC1=NC2=C(C=NN2CCNC(=O)CN3C=NC4=CC=CC=C43)C(=N1)N5CCCC5

InChI

InChI=1S/C21H24N8OS/c1-31-21-25-19(27-9-4-5-10-27)15-12-24-29(20(15)26-21)11-8-22-18(30)13-28-14-23-16-6-2-3-7-17(16)28/h2-3,6-7,12,14H,4-5,8-11,13H2,1H3,(H,22,30)