| SpectraBase Spectrum ID |
AOi1oxsN49M |
| Name |
N-(2-Fluorophenyl)-2,4,7-trioxo-1-(2-phenylethyl)-1,2,3,4,5,6,7,8-octahydropyrido[2,3-D]pyrimidine-5-carboxamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
422.139033267 u |
| Formula |
C22H19FN4O4 |
| InChI |
InChI=1S/C22H19FN4O4/c23-15-8-4-5-9-16(15)24-20(29)14-12-17(28)25-19-18(14)21(30)26-22(31)27(19)11-10-13-6-2-1-3-7-13/h1-9,14H,10-12H2,(H,24,29)(H,25,28)(H,26,30,31) |
| InChIKey |
QXENDQYYYYXIBG-UHFFFAOYSA-N |
| Molecular Weight |
422.416 g/mol |
| SMILES |
C12=C(C(=O)NC(N2CCC=2C=CC=CC2)=O)C(C(NC=2C(F)=CC=CC2)=O)CC(N1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85166 |
![N-(2-Fluorophenyl)-2,4,7-trioxo-1-(2-phenylethyl)-1,2,3,4,5,6,7,8-octahydropyrido[2,3-d]pyrimidine-5-carboxamide](/api/spectrum/AOi1oxsN49M/structure.png?h=300&w=458 "N-(2-Fluorophenyl)-2,4,7-trioxo-1-(2-phenylethyl)-1,2,3,4,5,6,7,8-octahydropyrido[2,3-d]pyrimidine-5-carboxamide")
