4-(imidazol-1-ylmethyl)-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzamide

Systemtic Name: 4-(imidazol-1-ylmethyl)-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzamide Openeye Name: 4-(imidazol-1-ylmethyl)-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzamide CAS Name: 4-(1-imidazolylmethyl)-N-[2-[6-(methylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]benzamide IUPAC Name: 4-(imidazol-1-ylmethyl)-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzamide Traditional Name: 4-(imidazol-1-ylmethyl)-N-[2-[6-(methylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide Formula: C23H26N8OS MolecularWeight: 462.57054

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CCNC(=O)C3=CC=C(C=C3)CN4C=CN=C4)C(=N1)N5CCCC5

Isomeric SMILES

CSC1=NC2=C(C=NN2CCNC(=O)C3=CC=C(C=C3)CN4C=CN=C4)C(=N1)N5CCCC5

InChI

InChI=1S/C23H26N8OS/c1-33-23-27-20(30-10-2-3-11-30)19-14-26-31(21(19)28-23)13-9-25-22(32)18-6-4-17(5-7-18)15-29-12-8-24-16-29/h4-8,12,14,16H,2-3,9-11,13,15H2,1H3,(H,25,32)