| SpectraBase Spectrum ID |
5oISFRZwtzC |
| Name |
5-(3-Ethoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}benzylidene)-1-(3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
516.171893179 u |
| Formula |
C29H28N2O5S |
| InChI |
InChI=1S/C29H28N2O5S/c1-4-35-26-18-21(10-13-25(26)36-14-15-37-23-11-8-19(2)9-12-23)17-24-27(32)30-29(34)31(28(24)33)22-7-5-6-20(3)16-22/h5-13,16-18H,4,14-15H2,1-3H3,(H,30,32,34)/b24-17- |
| InChIKey |
BDEKEKZEGLMLMN-ULJHMMPZSA-N |
| Molecular Weight |
516.612 g/mol |
| SMILES |
CCOC1=CC(\C=C/2C(N(C(NC2=O)=O)C=2C=C(C)C=CC2)=O)=CC=C1OCCSC1=CC=C(C=C1)C |
![5-(3-Ethoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}benzylidene)-1-(3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione](/api/spectrum/5oISFRZwtzC/structure.png?h=300&w=458 "5-(3-Ethoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}benzylidene)-1-(3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione")
