methyl 4-[3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoyloxymethyl]benzoate

Systemtic Name: methyl 4-[3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoyloxymethyl]benzoate Openeye Name: methyl 4-[3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoyloxymethyl]benzoate CAS Name: 4-[[3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxopropoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoyloxymethyl]benzoate Traditional Name: 4-[3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoyloxymethyl]benzoic acid methyl ester Formula: C18H18N4O5 MolecularWeight: 370.35932

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)OCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)OCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H18N4O5/c1-21-16-14(9-20-21)17(24)22(11-19-16)8-7-15(23)27-10-12-3-5-13(6-4-12)18(25)26-2/h3-6,9,11H,7-8,10H2,1-2H3