| SpectraBase Spectrum ID |
HPAWddcfMfh |
| Name |
6-Hydroxy-5-(3-methyl-butyl)-2-(2-morpholin-4-yl-ethylsulfanyl)-3-phenyl-3H-pyrimidin-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
403.192962977 u |
| Formula |
C21H29N3O3S |
| InChI |
InChI=1S/C21H29N3O3S/c1-16(2)8-9-18-19(25)22-21(28-15-12-23-10-13-27-14-11-23)24(20(18)26)17-6-4-3-5-7-17/h3-7,16,25H,8-15H2,1-2H3 |
| InChIKey |
KBKLFGZNVSBONJ-UHFFFAOYSA-N |
| Molecular Weight |
403.541 g/mol |
| SMILES |
C=1(N(C(C(=C(N1)O)CCC(C)C)=O)C1=CC=CC=C1)SCCN1CCOCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879792 |
