2-{2-[(2-Chloro-6-fluorobenzyl)thio]phenyl}-1,4,5,6-tetrahydropyrimidine
6403
Reference
2-{2-[(2-Chloro-6-fluorobenzyl)thio]phenyl}-1,4,5,6-tetrahydropyrimidine Structure
Systematic / IUPAC Name: 2-{2-[(2-Chloro-6-fluorobenzyl)sulfanyl]phenyl}-1,4,5,6-tetrahydropyrimidine
ID: Reference6403
Other Names: Pyrimidine, 2-(2-{[(2-chloro-6-fluorophenyl)methyl]thio}phenyl)-1,4,5,6-tetrahydro-
Formula: C17H16ClFN2S
Spectral Data
2-{2-[(2-Chloro-6-fluorobenzyl)thio]phenyl}-1,4,5,6-tetrahydropyrimidine 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 | 1 |
| No. of Spectra | 119 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 3/1/2017 6:36:46 AM |
Identificators
| InChI | InChI=1S/C17H16ClFN2S/c18-14-6-3-7-15(19)13(14)11-22-16-8-2-1-5-12(16)17-20-9-4-10-21-17/h1-3,5-8H,4,9-11H2,(H,20,21) |
| InChI Key | LTKNAMJHFJKCLP-UHFFFAOYSA-N |
| Canonical SMILES | C1CNC(=NC1)C2=CC=CC=C2SCC3=C(C=CC=C3Cl)F |
| CAS | |
| Splash | |
| Other Names | Pyrimidine, 2-(2-{[(2-chloro-6-fluorophenyl)methyl]thio}phenyl)-1,4,5,6-tetrahydro- |
In Other Databases
| ChemSpider | 526487 |
| PubChem | 605683 |
| ChEMBL | CHEMBL40857 |