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

Systemtic Name: 2-(benzimidazol-1-yl)-N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]ethanamide Openeye Name: 2-(benzimidazol-1-yl)-N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]acetamide CAS Name: 2-(1-benzimidazolyl)-N-[2-[6-(ethylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]acetamide IUPAC Name: 2-(benzimidazol-1-yl)-N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]acetamide Traditional Name: 2-(benzimidazol-1-yl)-N-[2-[6-(ethylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]acetamide Formula: C22H26N8OS MolecularWeight: 450.55984

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)CN3C=NC4=CC=CC=C43)C(=N1)N5CCCC5

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)CN3C=NC4=CC=CC=C43)C(=N1)N5CCCC5

InChI

InChI=1S/C22H26N8OS/c1-2-32-22-26-20(28-10-5-6-11-28)16-13-25-30(21(16)27-22)12-9-23-19(31)14-29-15-24-17-7-3-4-8-18(17)29/h3-4,7-8,13,15H,2,5-6,9-12,14H2,1H3,(H,23,31)