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CHEBI:94626 - (2S,3S)-2-(2,4-difluorophenyl)-3-(5-fluoro-4-pyrimidinyl)-1-(1,2,4-triazol-1-yl)-2-butanol

ChEBI IDCHEBI:94626
ChEBI Name(2S,3S)-2-(2,4-difluorophenyl)-3-(5-fluoro-4-pyrimidinyl)-1-(1,2,4-triazol-1-yl)-2-butanol
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DownloadsMolfile
FormulaC16H14F3N5O
Net Charge0
Average Mass349.316
Monoisotopic Mass349.11504
SMILESC[C@@H](c1ncncc1F)[C@@](O)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16-/m0/s1
InChIKeyBCEHBSKCWLPMDN-QFYYESIMSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S)-2-(2,4-difluorophenyl)-3-(5-fluoro-4-pyrimidinyl)-1-(1,2,4-triazol-1-yl)-2-butanol (CHEBI:94626) is a alkylbenzene (CHEBI:38976)
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