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

Systemtic Name: phenacyl 3-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanoate Openeye Name: phenacyl 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 phenacyl ester IUPAC Name: phenacyl 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 phenacyl ester Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O4/c27-18(15-7-3-1-4-8-15)14-30-20(28)12-11-19-24-21-17(22(29)25-19)13-23-26(21)16-9-5-2-6-10-16/h1-10,13,23H,11-12,14H2