| SpectraBase Spectrum ID |
LS1UHysqUWc |
| Name |
5-[(E)-3-(Methylthio)but-1-enyl]-6-(4-morpholinyl)-2,3-diphenyl-4-pyrimidinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
433.182398293 u |
| Formula |
C25H27N3O2S |
| InChI |
InChI=1S/C25H27N3O2S/c1-19(31-2)13-14-22-24(27-15-17-30-18-16-27)26-23(20-9-5-3-6-10-20)28(25(22)29)21-11-7-4-8-12-21/h3-14,19H,15-18H2,1-2H3/b14-13+ |
| InChIKey |
NETLBMPGKGPGRR-BUHFOSPRSA-N |
| Molecular Weight |
433.570 g/mol |
| SMILES |
C1(=C(N=C(N(C1=O)C1=CC=CC=C1)C=1C=CC=CC1)N1CCOCC1)\C=C\C(SC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869069 |
![5-[(E)-3-(methylthio)but-1-enyl]-6-(4-morpholinyl)-2,3-diphenyl-4-pyrimidinone](/api/spectrum/LS1UHysqUWc/structure.png?h=300&w=458 "5-[(E)-3-(methylthio)but-1-enyl]-6-(4-morpholinyl)-2,3-diphenyl-4-pyrimidinone")
