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

Systemtic Name: ethyl 2-[[1-(2-hydroxyethyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-2-methyl-propanoate Openeye Name: ethyl 2-[[1-(2-hydroxyethyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-2-methyl-propanoate CAS Name: 2-[[1-(2-hydroxyethyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[1-(2-hydroxyethyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-2-methylpropanoate Traditional Name: 2-[[1-(2-hydroxyethyl)-4-keto-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-2-methyl-propionic acid ethyl ester Formula: C13H18N4O4S MolecularWeight: 326.37142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)SC1=NC(=O)C2=CNN(C2=N1)CCO

Isomeric SMILES

CCOC(=O)C(C)(C)SC1=NC(=O)C2=CNN(C2=N1)CCO

InChI

InChI=1S/C13H18N4O4S/c1-4-21-11(20)13(2,3)22-12-15-9-8(10(19)16-12)7-14-17(9)5-6-18/h7,14,18H,4-6H2,1-3H3