| SpectraBase Spectrum ID |
CU7FoZJwG01 |
| Name |
2-[(4'-Methoxyphenacylmethyl)thio]-5-ethyl-6-phenylthio pyrimidin-4(3H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.091534857 u |
| Formula |
C21H20N2O3S2 |
| InChI |
InChI=1S/C21H20N2O3S2/c1-3-17-19(25)22-21(23-20(17)28-16-7-5-4-6-8-16)27-13-18(24)14-9-11-15(26-2)12-10-14/h4-12H,3,13H2,1-2H3,(H,22,23,25) |
| InChIKey |
CFONHPFYALKDQG-UHFFFAOYSA-N |
| Molecular Weight |
412.522 g/mol |
| SMILES |
C=1(NC(C(=C(N1)SC=1C=CC=CC1)CC)=O)SCC(C1=CC=C(C=C1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930921 |
![2-[(4'-Methoxyphenacylmethyl)thio]-5-ethyl-6-phenylthio pyrimidin-4(3H)-one](/api/spectrum/CU7FoZJwG01/structure.png?h=300&w=458 "2-[(4'-Methoxyphenacylmethyl)thio]-5-ethyl-6-phenylthio pyrimidin-4(3H)-one")
