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

Systemtic Name: ethyl 3-[3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoyloxymethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoyloxymethyl]benzofuran-2-carboxylate CAS Name: 3-[[3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxopropoxy]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoyloxymethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoyloxymethyl]coumarilic acid ethyl ester Formula: C21H20N4O6 MolecularWeight: 424.4067

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)CCN3C=NC4=C(C3=O)C=NN4C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)CCN3C=NC4=C(C3=O)C=NN4C

InChI

InChI=1S/C21H20N4O6/c1-3-29-21(28)18-15(13-6-4-5-7-16(13)31-18)11-30-17(26)8-9-25-12-22-19-14(20(25)27)10-23-24(19)2/h4-7,10,12H,3,8-9,11H2,1-2H3