(4-bromanyl-2-fluoranyl-phenyl)methyl 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate Openeye Name: (4-bromo-2-fluoro-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 (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)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 (4-bromo-2-fluoro-benzyl) ester Formula: C16H14BrFN4O3 MolecularWeight: 409.209763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrFN4O3/c1-21-15-12(7-20-21)16(24)22(9-19-15)5-4-14(23)25-8-10-2-3-11(17)6-13(10)18/h2-3,6-7,9H,4-5,8H2,1H3