ethyl 2-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylpropanoate

Systemtic Name: ethyl 2-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylpropanoate Openeye Name: ethyl 2-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylpropanoate CAS Name: 2-[[1-(4-fluorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylpropanoate Traditional Name: 2-[[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]propionic acid ethyl ester Formula: C16H15FN4O2S MolecularWeight: 346.379303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C(C)SC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)F

InChI

InChI=1S/C16H15FN4O2S/c1-3-23-16(22)10(2)24-15-13-8-20-21(14(13)18-9-19-15)12-6-4-11(17)5-7-12/h4-10H,3H2,1-2H3