1-(4-Chlorophenyl)-2-[(4-hydroxy-5-isopentyl-6-methylpyrimidin-2-yl)thio]ethan-1-one

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Systematic / IUPAC Name: 2-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}-6-methyl-5-(3-methylbutyl)-4(1H)-pyrimidinone

ID: Reference3734

Other Names: 2-(4-Chlorophenacylthio)-4-hydroxy-6-methyl-5-(3-methylbutyl)pyrimidine

Formula: C18H21ClN2O2S

Spectral Data

1-(4-Chlorophenyl)-2-[(4-hydroxy-5-isopentyl-6-methylpyrimidin-2-yl)thio]ethan-1-one 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 238
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/8/2016 8:12:53 AM
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Identificators

InChI InChI=1S/C18H21ClN2O2S/c1-11(2)4-9-15-12(3)20-18(21-17(15)23)24-10-16(22)13-5-7-14(19)8-6-13/h5-8,11H,4,9-10H2,1-3H3,(H,20,21,23)
InChI Key KVCAWVYRZLEJJV-UHFFFAOYSA-N
Canonical SMILES CC1=C(C(=O)N=C(N1)SCC(=O)C2=CC=C(C=C2)Cl)CCC(C)C
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Other Names 2-(4-Chlorophenacylthio)-4-hydroxy-6-methyl-5-(3-methylbutyl)pyrimidine

In Other Databases

PubChem 2730371
ChemSpider 2012302