SpectraBase Spectrum ID |
4HuKof50a0Z |
Name |
2-[4-(2-amino-propylamino)-6-tetradecylamino-[1,3,5]triazin-2-ylamino]-ethanethiol bis trifluoroacetic acid salt |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C26H47F6N7O4S |
InChI |
InChI=1S/C22H45N7S.2C2HF3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-24-20-27-21(25-17-14-15-23)29-22(28-20)26-18-19-30;2*3-2(4,5)1(6)7/h30H,2-19,23H2,1H3,(H3,24,25,26,27,28,29);2*(H,6,7) |
InChIKey |
ZXTJOHRDEHSNTI-UHFFFAOYSA-N |
Literature Reference DOI |
10.1002/cmdc.200600267 |
Molecular Weight |
667.757 g/mol |
SMILES |
OC(C(F)(F)F)=O.N(c1nc(nc(n1)NCCCCCCCCCCCCCC)NCCCN)CCS.OC(C(F)(F)F)=O |
SPLASH |
splash10-0a4r-4706900000-6bcc82791ac95fe92051 |
Source of Spectrum |
CMC-2-292/SM6-4 |
Synonyms |
2-((4-((3-aminopropyl)amino)-6-(tetradecylamino)-1,3,5-triazin-2-yl)amino)ethanethiol bis(2,2,2-trifluoroacetate) |
Wiley ID |
1771464 |