ethyl 2-[2,3,5,6-tetrakis(fluoranyl)pyridin-4-yl]sulfanylpyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[2,3,5,6-tetrakis(fluoranyl)pyridin-4-yl]sulfanylpyrimidine-5-carboxylate Openeye Name: ethyl 2-[(2,3,5,6-tetrafluoro-4-pyridyl)sulfanyl]pyrimidine-5-carboxylate CAS Name: 2-[(2,3,5,6-tetrafluoro-4-pyridinyl)thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2,3,5,6-tetrafluoropyridin-4-yl)sulfanylpyrimidine-5-carboxylate Traditional Name: 2-[(2,3,5,6-tetrafluoro-4-pyridyl)thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C12H7F4N3O2S MolecularWeight: 333.261493

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1)SC2=C(C(=NC(=C2F)F)F)F

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1)SC2=C(C(=NC(=C2F)F)F)F

InChI

InChI=1S/C12H7F4N3O2S/c1-2-21-11(20)5-3-17-12(18-4-5)22-8-6(13)9(15)19-10(16)7(8)14/h3-4H,2H2,1H3