| SpectraBase Spectrum ID |
7X1usBfZrcj |
| Name |
N-(3-(4-Methoxyphenyl)-4-phenyl thiazol-2(3H)-ylidene)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
420.089226181 u |
| Formula |
C21H16N4O4S |
| InChI |
InChI=1S/C21H16N4O4S/c1-29-15-9-7-14(8-10-15)25-17(13-5-3-2-4-6-13)12-30-21(25)24-19(27)16-11-18(26)23-20(28)22-16/h2-12H,1H3,(H2,22,23,26,28)/b24-21- |
| InChIKey |
CTNAHCYMAULOFB-FLFQWRMESA-N |
| Molecular Weight |
420.443 g/mol |
| SMILES |
C1(NC(=CC(N1)=O)C(=O)\N=C/1SC=C(N1C=1C=CC(=CC1)OC)C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.859979 |
