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(4-{2-[(3-Chloro-4-fluoro-phenyl)-(methyl)-amino]-4-methylthiazol-5-yl}-pyrimidin-2-yl)-phenyl-amine
SpectraBase Compound ID HB65nWduArj
InChI InChI=1S/C21H17ClFN5S/c1-13-19(18-10-11-24-20(27-18)26-14-6-4-3-5-7-14)29-21(25-13)28(2)15-8-9-17(23)16(22)12-15/h3-12H,1-2H3,(H,24,26,27)
InChIKey WDKDWNFBNPRGNX-UHFFFAOYSA-N
Mol Weight 425.91 g/mol
Molecular Formula C21H17ClFN5S
Exact Mass 425.087723 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LNzp3YHJtCv
Name (4-{2-[(3-Chloro-4-fluoro-phenyl)-(methyl)-amino]-4-methylthiazol-5-yl}-pyrimidin-2-yl)-phenyl-amine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17ClFN5S
InChI InChI=1S/C21H17ClFN5S/c1-13-19(18-10-11-24-20(27-18)26-14-6-4-3-5-7-14)29-21(25-13)28(2)15-8-9-17(23)16(22)12-15/h3-12H,1-2H3,(H,24,26,27)
InChIKey WDKDWNFBNPRGNX-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.201000238
Molecular Weight 425.913 g/mol
SMILES N(c1nccc(n1)-c1c(nc(s1)N(C)c1cc(Cl)c(cc1)F)C)c1ccccc1
SPLASH splash10-004i-1120900000-47f8271a59e48fb1d036
Source of Spectrum APC-344-682-39
Synonyms N-(3-chloro-4-fluorophenyl)-N,4-dimethyl-5-(2-(phenylamino)pyrimidin-4-yl)thiazol-2-amine 5-(2-anilino-4-pyrimidinyl)-N-(3-chloro-4-fluorophenyl)-N,4-dimethyl-2-thiazolamine 5-(2-anilinopyrimidin-4-yl)-N-(3-chloro-4-fluorophenyl)-N,4-dimethyl-1,3-thiazol-2-amine 5-(2-anilinopyrimidin-4-yl)-N-(3-chloro-4-fluoro-phenyl)-N,4-dimethyl-thiazol-2-amine N-(3-chloranyl-4-fluoranyl-phenyl)-N,4-dimethyl-5-(2-phenylazanylpyrimidin-4-yl)-1,3-thiazol-2-amine
Wiley ID 1769129