2-bromanyl-5-fluoranyl-N-[4-(4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]benzamide

Systemtic Name: 2-bromanyl-5-fluoranyl-N-[4-(4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]benzamide Openeye Name: 2-bromo-5-fluoro-N-[4-(4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]benzamide CAS Name: 2-bromo-5-fluoro-N-[4-(4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]benzamide IUPAC Name: 2-bromo-5-fluoro-N-[4-(4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]benzamide Traditional Name: 2-bromo-5-fluoro-N-[4-(4-keto-2H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]benzamide Formula: C18H11BrFN5O2 MolecularWeight: 428.214643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)F)Br)N3C4=NC=NC(=O)C4=CN3

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)F)Br)N3C4=NC=NC(=O)C4=CN3

InChI

InChI=1S/C18H11BrFN5O2/c19-15-6-1-10(20)7-13(15)18(27)24-11-2-4-12(5-3-11)25-16-14(8-23-25)17(26)22-9-21-16/h1-9,23H,(H,24,27)