(4-ethanoylphenyl) 3-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanoate

Systemtic Name: (4-ethanoylphenyl) 3-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanoate Openeye Name: (4-acetylphenyl) 3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanoate CAS Name: 3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanoic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanoate Traditional Name: 3-(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propionic acid (4-acetylphenyl) ester Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)CCC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)CCC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

InChI

InChI=1S/C22H18N4O4/c1-14(27)15-7-9-17(10-8-15)30-20(28)12-11-19-24-21-18(22(29)25-19)13-23-26(21)16-5-3-2-4-6-16/h2-10,13,23H,11-12H2,1H3