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

Systemtic Name: ethyl 4-azanyl-2-[2,3,5,6-tetrakis(fluoranyl)pyridin-4-yl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(2,3,5,6-tetrafluoro-4-pyridyl)sulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(2,3,5,6-tetrafluoropyridin-4-yl)sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(2,3,5,6-tetrafluoro-4-pyridyl)thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C12H8F4N4O2S MolecularWeight: 348.276133

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SC2=C(C(=NC(=C2F)F)F)F

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SC2=C(C(=NC(=C2F)F)F)F

InChI

InChI=1S/C12H8F4N4O2S/c1-2-22-11(21)4-3-18-12(20-10(4)17)23-7-5(13)8(15)19-9(16)6(7)14/h3H,2H2,1H3,(H2,17,18,20)