| SpectraBase Spectrum ID |
FxMtrsnCIx3 |
| Name |
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[[[2-(1-piperazinyl)ethyl]amino]methylidene]-1-[3-(trifluoromethyl)phenyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
411.151824010 u |
| Formula |
C18H20F3N5O3 |
| InChI |
InChI=1S/C18H20F3N5O3/c19-18(20,21)12-2-1-3-13(10-12)26-16(28)14(15(27)24-17(26)29)11-23-6-9-25-7-4-22-5-8-25/h1-3,10-11,22-23H,4-9H2,(H,24,27,29)/b14-11+ |
| InChIKey |
WXNGUWJGXHGBFC-SDNWHVSQSA-N |
| Molecular Weight |
411.385 g/mol |
| SMILES |
C(CN1CCNCC1)N\C=C\1C(N(C(NC1=O)=O)C=1C=C(C(F)(F)F)C=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.859728 |
![2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[[[2-(1-piperazinyl)ethyl]amino]methylidene]-1-[3-(trifluoromethyl)phenyl]-](/api/spectrum/FxMtrsnCIx3/structure.png?h=300&w=458 "2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[[[2-(1-piperazinyl)ethyl]amino]methylidene]-1-[3-(trifluoromethyl)phenyl]-")
