6-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-olate

Systemtic Name: 6-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-olate Openeye Name: 6-(2-ethoxy-2-oxo-ethyl)sulfanyl-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-olate CAS Name: 6-[(2-ethoxy-2-oxoethyl)thio]-1-(4-fluorophenyl)-4-pyrazolo[3,4-d]pyrimidinolate IUPAC Name: 6-(2-ethoxy-2-oxoethyl)sulfanyl-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-olate Traditional Name: 6-[(2-ethoxy-2-keto-ethyl)thio]-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-olate Formula: C15H12FN4O3S- MolecularWeight: 347.344183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C=NN2C3=CC=C(C=C3)F)C(=N1)[O-]

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C=NN2C3=CC=C(C=C3)F)C(=N1)[O-]

InChI

InChI=1S/C15H13FN4O3S/c1-2-23-12(21)8-24-15-18-13-11(14(22)19-15)7-17-20(13)10-5-3-9(16)4-6-10/h3-7H,2,8H2,1H3,(H,18,19,22)/p-1