ethyl 5-[3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoyloxy]-2-phenyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-[3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoyloxy]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoyloxy]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxopropoxy]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoyloxy]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoyloxy]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C26H22N4O6 MolecularWeight: 486.47608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)CCN3C=NC4=C(C3=O)C=NN4C)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)CCN3C=NC4=C(C3=O)C=NN4C)C5=CC=CC=C5

InChI

InChI=1S/C26H22N4O6/c1-3-34-26(33)22-18-13-17(9-10-20(18)36-23(22)16-7-5-4-6-8-16)35-21(31)11-12-30-15-27-24-19(25(30)32)14-28-29(24)2/h4-10,13-15H,3,11-12H2,1-2H3