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

Systemtic Name: 2-chloranyl-4-fluoranyl-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzamide Openeye Name: 2-chloro-4-fluoro-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzamide CAS Name: 2-chloro-4-fluoro-N-[2-[6-(methylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]benzamide IUPAC Name: 2-chloro-4-fluoro-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzamide Traditional Name: 2-chloro-4-fluoro-N-[2-[6-(methylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide Formula: C19H20ClFN6OS MolecularWeight: 434.918103

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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)N4CCCC4

Isomeric SMILES

CSC1=NC2=C(C=NN2CCNC(=O)C3=C(C=C(C=C3)F)Cl)C(=N1)N4CCCC4

InChI

InChI=1S/C19H20ClFN6OS/c1-29-19-24-16(26-7-2-3-8-26)14-11-23-27(17(14)25-19)9-6-22-18(28)13-5-4-12(21)10-15(13)20/h4-5,10-11H,2-3,6-9H2,1H3,(H,22,28)