| SpectraBase Spectrum ID |
Jv2LWUKi3mw |
| Name |
2-[(5-Cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]-N-(2-fluorophenyl)acetamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.074325010 u |
| Formula |
C19H13FN4O2S |
| InChI |
InChI=1S/C19H13FN4O2S/c20-14-8-4-5-9-15(14)22-16(25)11-27-19-23-17(12-6-2-1-3-7-12)13(10-21)18(26)24-19/h1-9H,11H2,(H,22,25)(H,23,24,26) |
| InChIKey |
AKKNYUQKTFMDFB-UHFFFAOYSA-N |
| Molecular Weight |
380.397 g/mol |
| SMILES |
C1(=C(N=C(NC1=O)SCC(NC=1C(F)=CC=CC1)=O)C1=CC=CC=C1)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902431 |
![2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]-N-(2-fluorophenyl)acetamide](/api/spectrum/Jv2LWUKi3mw/structure.png?h=300&w=458 "2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]-N-(2-fluorophenyl)acetamide")
