phenyl 2-[1-(4-fluorophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]ethanesulfonate

Systemtic Name: phenyl 2-[1-(4-fluorophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]ethanesulfonate Openeye Name: phenyl 2-[1-(4-fluorophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]ethanesulfonate CAS Name: 2-[1-(4-fluorophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[1-(4-fluorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]ethanesulfonate Traditional Name: 2-[1-(4-fluorophenyl)-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl]ethanesulfonic acid phenyl ester Formula: C19H15FN4O4S MolecularWeight: 414.410203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)CCN2C=NC3=C(C2=O)C=NN3C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)CCN2C=NC3=C(C2=O)C=NN3C4=CC=C(C=C4)F

InChI

InChI=1S/C19H15FN4O4S/c20-14-6-8-15(9-7-14)24-18-17(12-22-24)19(25)23(13-21-18)10-11-29(26,27)28-16-4-2-1-3-5-16/h1-9,12-13H,10-11H2