| SpectraBase Spectrum ID |
HfQR0RSbReA |
| Name |
(E)-2-cyano-N-(5-oxo-3-phenyl-1,5-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-3-phenylbut-2-enamide |
| Appearance |
Yellow powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H16N6O2 |
| InChI |
InChI=1S/C22H16N6O2/c1-14(15-8-4-2-5-9-15)17(13-23)21(30)24-18-12-19(29)28-20(26-27-22(28)25-18)16-10-6-3-7-11-16/h2-12H,1H3,(H,24,30)(H,25,27)/b17-14+ |
| InChIKey |
LLBHXRFIZVJBQD-SAPNQHFASA-N |
| Instrument Name |
Shimadzu GCMS-QP 1000 EX |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2645 |
| Molecular Weight |
396.410 g/mol |
| SMILES |
N1N=C(N2C(C=C(N=C12)NC(\C(C#N)=C\(c1ccccc1)C)=O)=O)c1ccccc1 |
| SPLASH |
splash10-00kb-0009000000-b00afcb6d0d7f5040617 |
| Source of Spectrum |
Y-54-857-28 |
| Wiley ID |
1877951 |
![(E)-2-cyano-N-(5-oxo-3-phenyl-1,5-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-3-phenylbut-2-enamide](/api/spectrum/HfQR0RSbReA/structure.png?h=300&w=458 "(E)-2-cyano-N-(5-oxo-3-phenyl-1,5-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-3-phenylbut-2-enamide")
