4-(Methylthio)-2-phenyl-6-[4-(trifluoromethyl)anilino]pyrimidine-5-carbonitrile

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Systematic / IUPAC Name: 4-Methylsulfanyl-2-phenyl-6-[4-(trifluoromethyl)anilino]pyrimidine-5-carbonitrile

ID: Reference5932

Other Names: 4-(Methylsulfanyl)-2-phenyl-6-{[4-(trifluoromethyl)phenyl]amino}-5-pyrimidinecarbonitrile;
5-Pyrimidinecarbonitrile, 4-(methylthio)-2-phenyl-6-{[4-(trifluoromethyl)phenyl]amino}-

Formula: C19H13F3N4S

Spectral Data

4-(Methylthio)-2-phenyl-6-[4-(trifluoromethyl)anilino]pyrimidine-5-carbonitrile mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 118
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/9/2016 8:18:23 AM
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Identificators

InChI InChI=1S/C19H13F3N4S/c1-27-18-15(11-23)17(25-16(26-18)12-5-3-2-4-6-12)24-14-9-7-13(8-10-14)19(20,21)22/h2-10H,1H3,(H,24,25,26)
InChI Key RJXSRYIAAXDNMK-UHFFFAOYSA-N
Canonical SMILES CSC1=NC(=NC(=C1C#N)NC2=CC=C(C=C2)C(F)(F)F)C3=CC=CC=C3
CAS
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Other Names 4-(Methylsulfanyl)-2-phenyl-6-{[4-(trifluoromethyl)phenyl]amino}-5-pyrimidinecarbonitrile;
5-Pyrimidinecarbonitrile, 4-(methylthio)-2-phenyl-6-{[4-(trifluoromethyl)phenyl]amino}-

In Other Databases

PubChem 2801156
ChemSpider 2079869