| SpectraBase Spectrum ID |
7gKAcG9YdX0 |
| Name |
2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-diethyl-5-[2-(3-ethyl-2(3H)-benzothiazolylidene)cyclopentylidene]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
411.161662848 u |
| Formula |
C22H25N3O3S |
| InChI |
InChI=1S/C22H25N3O3S/c1-4-23-16-12-7-8-13-17(16)29-21(23)15-11-9-10-14(15)18-19(26)24(5-2)22(28)25(6-3)20(18)27/h7-8,12-13H,4-6,9-11H2,1-3H3/b21-15- |
| InChIKey |
FWTIXODBHHFOIN-QNGOZBTKSA-N |
| Molecular Weight |
411.520 g/mol |
| SMILES |
CCN1C(=O)N(CC)C(C(C1=O)=C1CCC\C1=C/1SC2=CC=CC=C2N1CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904611 |
![2,4,6(1H,3H,5H)-pyrimidinetrione, 1,3-diethyl-5-[2-(3-ethyl-2(3H)-benzothiazolylidene)cyclopentylidene]-](/api/spectrum/7gKAcG9YdX0/structure.png?h=300&w=458 "2,4,6(1H,3H,5H)-pyrimidinetrione, 1,3-diethyl-5-[2-(3-ethyl-2(3H)-benzothiazolylidene)cyclopentylidene]-")
