5-(2-Chloro-6-fluorobenzyl)-6-methyl-2-(methylthio)pyrimidin-4-ol

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Systematic / IUPAC Name: 5-(2-Chloro-6-fluorobenzyl)-6-methyl-2-(methylsulfanyl)-4(1H)-pyrimidinone

ID: Reference3897

Other Names: 4(1H)-Pyrimidinone, 5-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-2-(methylthio)-

Formula: C13H12ClFN2OS

Spectral Data

5-(2-Chloro-6-fluorobenzyl)-6-methyl-2-(methylthio)pyrimidin-4-ol 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 2
No. of Spectra 210
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/17/2016 8:25:48 AM
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Identificators

InChI InChI=1S/C13H12ClFN2OS/c1-7-8(12(18)17-13(16-7)19-2)6-9-10(14)4-3-5-11(9)15/h3-5H,6H2,1-2H3,(H,16,17,18)
InChI Key XXNZPOVZCFTKBV-UHFFFAOYSA-N
Canonical SMILES CC1=C(C(=O)N=C(N1)SC)CC2=C(C=CC=C2Cl)F
CAS
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Other Names 4(1H)-Pyrimidinone, 5-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-2-(methylthio)-

In Other Databases

ChemSpider 2011920
PubChem 2729983
ChEMBL CHEMBL1478191