N-(4-bromanyl-2-fluoranyl-phenyl)-3-(6-methyl-4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-3-(6-methyl-4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-3-(6-methyl-4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-(4-bromo-2-fluorophenyl)-3-(6-methyl-4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-3-(4-keto-6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C21H17BrFN5O2 MolecularWeight: 470.294383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=O)N1CCC(=O)NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=O)N1CCC(=O)NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C21H17BrFN5O2/c1-13-25-20-16(12-24-28(20)15-5-3-2-4-6-15)21(30)27(13)10-9-19(29)26-18-8-7-14(22)11-17(18)23/h2-8,11-12H,9-10H2,1H3,(H,26,29)