(Q82568688)

English

(2R,3R)-2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol

1 reference

based on heuristic

inferred from InChIKey

mass

349.11504472799993 dalton

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inferred from InChIKey

based on heuristic

inferred from InChI

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

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C₁₆H₁₄F₃N₅O

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canonical SMILES

CC(c1ncncc1F)C(O)(Cn1cncn1)c1ccc(F)cc1F

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@H](C1=NC=NC=C1F)[C@](CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O

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Identifiers

InChI

InChI=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-/m1/s1

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InChIKey

BCEHBSKCWLPMDN-QLJPJBMISA-N

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matched by identifier from

InChIKey

BCEHBSKCWLPMDN-QLJPJBMISA-N

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matched by identifier from

InChIKey

BCEHBSKCWLPMDN-QLJPJBMISA-N

DSSTOX compound identifier

DTXCID40605412

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UNII

2XJK4399NE

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matched by identifier from

InChIKey

BCEHBSKCWLPMDN-QLJPJBMISA-N

H8VDB4S9ER

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matched by identifier from

InChIKey

BCEHBSKCWLPMDN-QLJPJBMISA-N

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