N-(5-bromanylquinolin-8-yl)-2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide

Systemtic Name: N-(5-bromanylquinolin-8-yl)-2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide Openeye Name: N-(5-bromo-8-quinolyl)-2-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide CAS Name: N-(5-bromo-8-quinolinyl)-2-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)acetamide IUPAC Name: N-(5-bromoquinolin-8-yl)-2-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetamide Traditional Name: N-(5-bromo-8-quinolyl)-2-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide Formula: C22H15BrN6O2 MolecularWeight: 475.2975

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)NC4=C5C(=C(C=C4)Br)C=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)NC4=C5C(=C(C=C4)Br)C=CC=N5

InChI

InChI=1S/C22H15BrN6O2/c23-17-8-9-18(20-15(17)7-4-10-24-20)27-19(30)12-28-13-25-21-16(22(28)31)11-26-29(21)14-5-2-1-3-6-14/h1-11,13H,12H2,(H,27,30)