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

Systemtic Name: 1-(4-fluorophenyl)-6-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-pyrazolo[3,4-d]pyrimidin-4-olate Openeye Name: 1-(4-fluorophenyl)-6-(2-methoxy-2-oxo-ethyl)sulfanyl-pyrazolo[3,4-d]pyrimidin-4-olate CAS Name: 1-(4-fluorophenyl)-6-[(2-methoxy-2-oxoethyl)thio]-4-pyrazolo[3,4-d]pyrimidinolate IUPAC Name: 1-(4-fluorophenyl)-6-(2-methoxy-2-oxoethyl)sulfanylpyrazolo[3,4-d]pyrimidin-4-olate Traditional Name: 1-(4-fluorophenyl)-6-[(2-keto-2-methoxy-ethyl)thio]pyrazolo[3,4-d]pyrimidin-4-olate Formula: C14H10FN4O3S- MolecularWeight: 333.317603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11FN4O3S/c1-22-11(20)7-23-14-17-12-10(13(21)18-14)6-16-19(12)9-4-2-8(15)3-5-9/h2-6H,7H2,1H3,(H,17,18,21)/p-1