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

Systemtic Name: ethyl 4-[[1-(2-hydroxyethyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[[1-(2-hydroxyethyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-3-oxo-butanoate CAS Name: 4-[[1-(2-hydroxyethyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(2-hydroxyethyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-3-oxobutanoate Traditional Name: 4-[[1-(2-hydroxyethyl)-4-keto-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-3-keto-butyric acid ethyl ester Formula: C13H16N4O5S MolecularWeight: 340.35494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NC(=O)C2=CNN(C2=N1)CCO

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC(=O)C2=CNN(C2=N1)CCO

InChI

InChI=1S/C13H16N4O5S/c1-2-22-10(20)5-8(19)7-23-13-15-11-9(12(21)16-13)6-14-17(11)3-4-18/h6,14,18H,2-5,7H2,1H3