2-[[1-(2-hydroxyethyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[1-(2-hydroxyethyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]ethanoate Openeye Name: 2-[[1-(2-hydroxyethyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetate CAS Name: 2-[[1-(2-hydroxyethyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetate IUPAC Name: 2-[[1-(2-hydroxyethyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetate Traditional Name: 2-[[1-(2-hydroxyethyl)-4-keto-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetate Formula: C9H9N4O4S- MolecularWeight: 269.25716

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=NC(=NC2=O)SCC(=O)[O-])N(N1)CCO

Isomeric SMILES

C1=C2C(=NC(=NC2=O)SCC(=O)[O-])N(N1)CCO

InChI

InChI=1S/C9H10N4O4S/c14-2-1-13-7-5(3-10-13)8(17)12-9(11-7)18-4-6(15)16/h3,10,14H,1-2,4H2,(H,15,16)/p-1