(3-fluoranyl-4-methoxy-phenyl)methyl 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate CAS Name: 3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoate Traditional Name: 3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C17H17FN4O4 MolecularWeight: 360.339683

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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)OC)F

Isomeric SMILES

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

InChI

InChI=1S/C17H17FN4O4/c1-21-16-12(8-20-21)17(24)22(10-19-16)6-5-15(23)26-9-11-3-4-14(25-2)13(18)7-11/h3-4,7-8,10H,5-6,9H2,1-2H3