2-chloranyl-N-[2-(6-ethylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-fluoranyl-benzamide

Systemtic Name: 2-chloranyl-N-[2-(6-ethylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-fluoranyl-benzamide Openeye Name: 2-chloro-N-[2-[6-ethylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-fluoro-benzamide CAS Name: 2-chloro-N-[2-[6-(ethylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-4-fluorobenzamide IUPAC Name: 2-chloro-N-[2-(6-ethylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-fluorobenzamide Traditional Name: 2-chloro-N-[2-[6-(ethylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-fluoro-benzamide Formula: C21H24ClFN6OS MolecularWeight: 462.971263

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=C(C=C(C=C3)F)Cl)C(=N1)N4CCCCC4

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=C(C=C(C=C3)F)Cl)C(=N1)N4CCCCC4

InChI

InChI=1S/C21H24ClFN6OS/c1-2-31-21-26-18(28-9-4-3-5-10-28)16-13-25-29(19(16)27-21)11-8-24-20(30)15-7-6-14(23)12-17(15)22/h6-7,12-13H,2-5,8-11H2,1H3,(H,24,30)