methyl 4-[[1-(2-hydroxyethyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[1-(2-hydroxyethyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[1-(2-hydroxyethyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[1-(2-hydroxyethyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(2-hydroxyethyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[1-(2-hydroxyethyl)-4-keto-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]methyl]benzoic acid methyl ester Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC(=O)C3=CNN(C3=N2)CCO

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC(=O)C3=CNN(C3=N2)CCO

InChI

InChI=1S/C16H16N4O4S/c1-24-15(23)11-4-2-10(3-5-11)9-25-16-18-13-12(14(22)19-16)8-17-20(13)6-7-21/h2-5,8,17,21H,6-7,9H2,1H3