5-(2-Chloro-6-fluorobenzyl)-6-methyl-2-(prop-2-ynylthio)pyrimidin-4-yl N,N-dimethylcarbamate

enlarge

Systematic / IUPAC Name: 5-(2-Chloro-6-fluorobenzyl)-6-methyl-2-(2-propyn-1-ylsulfanyl)-4-pyrimidinyl dimethylcarbamate

ID: Reference4696

Other Names: Carbamic acid, N,N-dimethyl, 5-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-2-(2-propyn-1-ylthio)-4-pyrimidinyl ester

Formula: C18H17ClFN3O2S

Spectral Data

5-(2-Chloro-6-fluorobenzyl)-6-methyl-2-(prop-2-ynylthio)pyrimidin-4-yl N,N-dimethylcarbamate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 115
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/27/2016 1:22:46 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C18H17ClFN3O2S/c1-5-9-26-17-21-11(2)12(16(22-17)25-18(24)23(3)4)10-13-14(19)7-6-8-15(13)20/h1,6-8H,9-10H2,2-4H3
InChI Key DEXLNSYSVGQSMK-UHFFFAOYSA-N
Canonical SMILES CC1=C(C(=NC(=N1)SCC#C)OC(=O)N(C)C)CC2=C(C=CC=C2Cl)F
CAS
Splash
Other Names Carbamic acid, N,N-dimethyl, 5-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-2-(2-propyn-1-ylthio)-4-pyrimidinyl ester

In Other Databases

ChemSpider 2012298
PubChem 2730367