5-Allyl-2-[(4-fluorobenzyl)thio]-6-propylpyrimidin-4-ol
7133
Reference
5-Allyl-2-[(4-fluorobenzyl)thio]-6-propylpyrimidin-4-ol Structure
Systematic / IUPAC Name: 5-Allyl-2-[(4-fluorobenzyl)sulfanyl]-6-propyl-4(1H)-pyrimidinone
ID: Reference7133
Other Names: 4(1H)-Pyrimidinone, 2-{[(4-fluorophenyl)methyl]thio}-5-(2-propen-1-yl)-6-propyl-
Formula: C17H19FN2OS
Spectral Data
5-Allyl-2-[(4-fluorobenzyl)thio]-6-propylpyrimidin-4-ol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 301 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 12/6/2017 6:54:30 AM |
Identificators
| InChI | InChI=1S/C17H19FN2OS/c1-3-5-14-15(6-4-2)19-17(20-16(14)21)22-11-12-7-9-13(18)10-8-12/h3,7-10H,1,4-6,11H2,2H3,(H,19,20,21) |
| InChI Key | KRCKWFBAKBBIRS-UHFFFAOYSA-N |
| Canonical SMILES | CCCC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)F)CC=C |
| CAS | |
| Splash | |
| Other Names | 4(1H)-Pyrimidinone, 2-{[(4-fluorophenyl)methyl]thio}-5-(2-propen-1-yl)-6-propyl- |