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

Systemtic Name: 6-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Openeye Name: 6-(2-methoxy-2-oxo-ethyl)sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate CAS Name: 6-[(2-methoxy-2-oxoethyl)thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate IUPAC Name: 6-(2-methoxy-2-oxoethyl)sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Traditional Name: 6-[(2-keto-2-methoxy-ethyl)thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate Formula: C8H7N4O3S- MolecularWeight: 239.23118

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=C(C=NN2)C(=N1)[O-]

Isomeric SMILES

COC(=O)CSC1=NC2=C(C=NN2)C(=N1)[O-]

InChI

InChI=1S/C8H8N4O3S/c1-15-5(13)3-16-8-10-6-4(2-9-12-6)7(14)11-8/h2H,3H2,1H3,(H2,9,10,11,12,14)/p-1