methyl (2R)-2-[[3-(4-fluorophenyl)-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl]propanoate

Systemtic Name: methyl (2R)-2-[[3-(4-fluorophenyl)-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl]propanoate Openeye Name: methyl (2R)-2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylpropanoate CAS Name: (2R)-2-[[3-(4-fluorophenyl)-7-triazolo[4,5-d]pyrimidinyl]thio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylpropanoate Traditional Name: (2R)-2-[[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]thio]propionic acid methyl ester Formula: C14H12FN5O2S MolecularWeight: 333.340783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NC=NC2=C1N=NN2C3=CC=C(C=C3)F

Isomeric SMILES

C[C@H](C(=O)OC)SC1=NC=NC2=C1N=NN2C3=CC=C(C=C3)F

InChI

InChI=1S/C14H12FN5O2S/c1-8(14(21)22-2)23-13-11-12(16-7-17-13)20(19-18-11)10-5-3-9(15)4-6-10/h3-8H,1-2H3/t8-/m1/s1