| SpectraBase Spectrum ID |
BvDQQOFAg9f |
| Name |
2-(Methylsulfanyl)ethyl 4-[3-(benzyloxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.145678431 u |
| Formula |
C22H24N2O4S |
| InChI |
InChI=1S/C22H24N2O4S/c1-15-19(21(25)27-11-12-29-2)20(24-22(26)23-15)17-9-6-10-18(13-17)28-14-16-7-4-3-5-8-16/h3-10,13,20H,11-12,14H2,1-2H3,(H2,23,24,26) |
| InChIKey |
NCJMEKZCQDIVLX-UHFFFAOYSA-N |
| Molecular Weight |
412.504 g/mol |
| SMILES |
N1C(=C(C(NC1=O)C=1C=C(C=CC1)OCC1=CC=CC=C1)C(OCCSC)=O)C |
![2-(Methylsulfanyl)ethyl 4-[3-(benzyloxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate](/api/spectrum/BvDQQOFAg9f/structure.png?h=300&w=458 "2-(Methylsulfanyl)ethyl 4-[3-(benzyloxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate")
