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(4-{2-[(3-Chloro-4-fluoro-phenyl)-(methyl)-amino]-4-methylthiazol-5-yl}-pyrimidin-2-yl)-(3-chloro-phenyl)-amine
SpectraBase Compound ID 3pnwe5LCRsp
InChI InChI=1S/C21H16Cl2FN5S/c1-12-19(30-21(26-12)29(2)15-6-7-17(24)16(23)11-15)18-8-9-25-20(28-18)27-14-5-3-4-13(22)10-14/h3-11H,1-2H3,(H,25,27,28)
InChIKey WLUPWVPPQXGZSY-UHFFFAOYSA-N
Mol Weight 460.36 g/mol
Molecular Formula C21H16Cl2FN5S
Exact Mass 459.04875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9CqL2Z6ZkfQ
Name (4-{2-[(3-Chloro-4-fluoro-phenyl)-(methyl)-amino]-4-methylthiazol-5-yl}-pyrimidin-2-yl)-(3-chloro-phenyl)-amine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16Cl2FN5S
InChI InChI=1S/C21H16Cl2FN5S/c1-12-19(30-21(26-12)29(2)15-6-7-17(24)16(23)11-15)18-8-9-25-20(28-18)27-14-5-3-4-13(22)10-14/h3-11H,1-2H3,(H,25,27,28)
InChIKey WLUPWVPPQXGZSY-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.201000238
Molecular Weight 460.358 g/mol
SMILES N(c1nccc(n1)-c1c(nc(s1)N(C)c1cc(Cl)c(cc1)F)C)c1cccc(c1)Cl
SPLASH splash10-08fr-2010900000-060b0e68d4e691d0b16f
Source of Spectrum APC-344-683-42
Synonyms N-(3-chloro-4-fluorophenyl)-5-(2-((3-chlorophenyl)amino)pyrimidin-4-yl)-N,4-dimethylthiazol-2-amine 5-[2-(3-chloroanilino)-4-pyrimidinyl]-N-(3-chloro-4-fluorophenyl)-N,4-dimethyl-2-thiazolamine 5-[2-(3-chloroanilino)pyrimidin-4-yl]-N-(3-chloro-4-fluorophenyl)-N,4-dimethyl-1,3-thiazol-2-amine 5-[2-(3-chloroanilino)pyrimidin-4-yl]-N-(3-chloro-4-fluoro-phenyl)-N,4-dimethyl-thiazol-2-amine N-(3-chloranyl-4-fluoranyl-phenyl)-5-[2-[(3-chlorophenyl)amino]pyrimidin-4-yl]-N,4-dimethyl-1,3-thiazol-2-amine
Wiley ID 1769132