1,3-benzodioxol-5-yl 3-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanoate

Systemtic Name: 1,3-benzodioxol-5-yl 3-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanoate Openeye Name: 1,3-benzodioxol-5-yl 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 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 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 1,3-benzodioxol-5-yl ester Formula: C21H16N4O5 MolecularWeight: 404.37554

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)OC(=O)CCC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)OC(=O)CCC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5

InChI

InChI=1S/C21H16N4O5/c26-19(30-14-6-7-16-17(10-14)29-12-28-16)9-8-18-23-20-15(21(27)24-18)11-22-25(20)13-4-2-1-3-5-13/h1-7,10-11,22H,8-9,12H2