| SpectraBase Spectrum ID |
CE0bwuQFarR |
| Name |
6-([(1E)-5-Methyl-1-(trifluoromethyl)-1-hexen-3-ynyl]sulfanyl)-9H-purine |
| CAS Registry Number |
79318-11-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H11F3N4S |
| InChI |
InChI=1S/C13H11F3N4S/c1-8(2)4-3-5-9(13(14,15)16)21-12-10-11(18-6-17-10)19-7-20-12/h5-8H,1-2H3,(H,17,18,19,20)/b9-5+ |
| InChIKey |
LALOKWDAMVQMEO-WEVVVXLNSA-N |
| Molecular Weight |
312.314 g/mol |
| SMILES |
[nH]1c2c(nc1)c(ncn2)S\C(=C\C#CC(C)C)C(F)(F)F |
| SPLASH |
splash10-0f6x-2592000000-88cb5cb9379d897e8ec1 |
| Source of Spectrum |
AD-0-2532-0 |
| Synonyms |
6-[(E)-1,1,1-trifluoro-6-methylhept-2-en-4-yn-2-yl]sulfanyl-7H-purine
6-[(E)-1,1,1-tris(fluoranyl)-6-methyl-hept-2-en-4-yn-2-yl]sulfanyl-7H-purine
6-[(E)-5-methyl-1-(trifluoromethyl)hex-1-en-3-ynyl]sulfanyl-7H-purine
6-[[(E)-1,1,1-trifluoro-6-methylhept-2-en-4-yn-2-yl]thio]-7H-purine
6-[[(E)-5-methyl-1-(trifluoromethyl)hex-1-en-3-ynyl]thio]-7H-purine
9H-Purine, 6-(1-trifluoromethyl-5-methylhex-1-en-3-ynyl)thio- |
| Wiley ID |
1425201 |
![6-([(1E)-5-Methyl-1-(trifluoromethyl)-1-hexen-3-ynyl]sulfanyl)-9H-purine](/api/spectrum/CE0bwuQFarR/structure.png?h=300&w=458 "6-([(1E)-5-Methyl-1-(trifluoromethyl)-1-hexen-3-ynyl]sulfanyl)-9H-purine")
