3-chloranyl-4-fluoranyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide

Systemtic Name: 3-chloranyl-4-fluoranyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide Openeye Name: 3-chloro-4-fluoro-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide CAS Name: 3-chloro-4-fluoro-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]benzamide IUPAC Name: 3-chloro-4-fluoro-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide Traditional Name: 3-chloro-4-fluoro-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]benzamide Formula: C19H13ClFN5OS MolecularWeight: 413.855823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC(=C(C=C2)F)Cl)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC(=C(C=C2)F)Cl)CSC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C19H13ClFN5OS/c20-15-7-12(4-5-16(15)21)18(27)25-13-3-1-2-11(6-13)9-28-19-14-8-24-26-17(14)22-10-23-19/h1-8,10H,9H2,(H,25,27)(H,22,23,24,26)