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

Systemtic Name: 2-chloranyl-4-fluoranyl-N-[2-(6-methylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzamide Openeye Name: 2-chloro-4-fluoro-N-[2-[6-methylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide CAS Name: 2-chloro-4-fluoro-N-[2-[6-(methylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]benzamide IUPAC Name: 2-chloro-4-fluoro-N-[2-(6-methylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzamide Traditional Name: 2-chloro-4-fluoro-N-[2-[6-(methylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide Formula: C20H22ClFN6OS MolecularWeight: 448.944683

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CCNC(=O)C3=C(C=C(C=C3)F)Cl)C(=N1)N4CCCCC4

Isomeric SMILES

CSC1=NC2=C(C=NN2CCNC(=O)C3=C(C=C(C=C3)F)Cl)C(=N1)N4CCCCC4

InChI

InChI=1S/C20H22ClFN6OS/c1-30-20-25-17(27-8-3-2-4-9-27)15-12-24-28(18(15)26-20)10-7-23-19(29)14-6-5-13(22)11-16(14)21/h5-6,11-12H,2-4,7-10H2,1H3,(H,23,29)