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

Systemtic Name: 2-chloranyl-N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-fluoranyl-benzamide Openeye Name: 2-chloro-N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-fluoro-benzamide CAS Name: 2-chloro-N-[2-[6-(ethylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-4-fluorobenzamide IUPAC Name: 2-chloro-N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-fluorobenzamide Traditional Name: 2-chloro-N-[2-[6-(ethylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-fluoro-benzamide Formula: C20H22ClFN6OS MolecularWeight: 448.944683

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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)N4CCCC4

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=C(C=C(C=C3)F)Cl)C(=N1)N4CCCC4

InChI

InChI=1S/C20H22ClFN6OS/c1-2-30-20-25-17(27-8-3-4-9-27)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)