| SpectraBase Spectrum ID |
AYn2V2f0vvR |
| Name |
N-[oxo-[[4-Phenyl-6-(trifluoromethyl)-2-pyrimidinyl]amino]methyl]-3-(trifluoromethyl)benzamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
454.086444618 u |
| Formula |
C20H12F6N4O2 |
| InChI |
InChI=1S/C20H12F6N4O2/c21-19(22,23)13-8-4-7-12(9-13)16(31)29-18(32)30-17-27-14(11-5-2-1-3-6-11)10-15(28-17)20(24,25)26/h1-10H,(H2,27,28,29,30,31,32) |
| InChIKey |
JHBORMAQSNPADK-UHFFFAOYSA-N |
| Molecular Weight |
454.332 g/mol |
| SMILES |
C=1(C=CC=CC1)C=1N=C(NC(NC(C=2C=CC=C(C2)C(F)(F)F)=O)=O)N=C(C1)C(F)(F)F |
![N-[oxo-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]amino]methyl]-3-(trifluoromethyl)benzamide](/api/spectrum/AYn2V2f0vvR/structure.png?h=300&w=458 "N-[oxo-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]amino]methyl]-3-(trifluoromethyl)benzamide")
