ethyl 4-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-3-oxo-butanoate CAS Name: 4-[[1-(4-fluorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-3-oxobutanoate Traditional Name: 4-[[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]-3-keto-butyric acid ethyl ester Formula: C17H15FN4O3S MolecularWeight: 374.389403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)F

InChI

InChI=1S/C17H15FN4O3S/c1-2-25-15(24)7-13(23)9-26-17-14-8-21-22(16(14)19-10-20-17)12-5-3-11(18)4-6-12/h3-6,8,10H,2,7,9H2,1H3