| SpectraBase Spectrum ID |
5wOXUpuQI29 |
| Name |
2-Octyloxy-5-[4-((2R,3R)-2-octyl-thietan-3-yloxy)-phenyl]-pyrimidine |
| Alternate Name(s) |
(2R,3S)-3-Octyl-3-{[(2'-octyloxypyrimidin-5'-yl)phenyl]oxymethyl}thiirane
(2R,3S)-3-Octyl-3-{[(2'-octyloxypyrimidin-5'-yl)phenyl]oxy}Thietane
2-(octyloxy)-5-(4-{[(2R,3R)-2-octylthietanyl]oxy}phenyl)pyrimidine |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H44N2O2S |
| InChI |
InChI=1S/C29H44N2O2S/c1-3-5-7-9-11-13-15-28-27(23-34-28)33-26-18-16-24(17-19-26)25-21-30-29(31-22-25)32-20-14-12-10-8-6-4-2/h16-19,21-22,27-28H,3-15,20,23H2,1-2H3/t27-,28-/m1/s1 |
| InChIKey |
WKSOFXAEEABHIV-VSGBNLITSA-N |
| Molecular Weight |
484.743 g/mol |
| SMILES |
c1(ncc(cn1)-c1ccc(O[C@@]2(CS[C@@]2(CCCCCCCC)[H])[H])cc1)OCCCCCCCC |
| SPLASH |
splash10-000i-9701200000-4783969f5a6192fd6eac |
| Source of Spectrum |
SK-25-2670-8 |
| Wiley ID |
866877 |
![2-Octyloxy-5-[4-((2R,3R)-2-octyl-thietan-3-yloxy)-phenyl]-pyrimidine](/api/spectrum/5wOXUpuQI29/structure.png?h=300&w=458 "2-Octyloxy-5-[4-((2R,3R)-2-octyl-thietan-3-yloxy)-phenyl]-pyrimidine")
