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

Systemtic Name: methyl 2-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylpropanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C15H13FN4O2S MolecularWeight: 332.352723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13FN4O2S/c1-9(15(21)22-2)23-14-12-7-19-20(13(12)17-8-18-14)11-5-3-10(16)4-6-11/h3-9H,1-2H3