| SpectraBase Spectrum ID |
67KnLbX72eu |
| Name |
2-{2-[(4-Methyl-6-phenyl-2-pyrimidinyl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
375.104147971 u |
| Formula |
C21H17N3O2S |
| InChI |
InChI=1S/C21H17N3O2S/c1-14-13-18(15-7-3-2-4-8-15)23-21(22-14)27-12-11-24-19(25)16-9-5-6-10-17(16)20(24)26/h2-10,13H,11-12H2,1H3 |
| InChIKey |
FERRQIIJAZBHOA-UHFFFAOYSA-N |
| Molecular Weight |
375.446 g/mol |
| SMILES |
C=1C=CC(C2=NC(SCCN3C(C=4C=CC=CC4C3=O)=O)=NC(=C2)C)=CC1 |
![2-{2-[(4-methyl-6-phenyl-2-pyrimidinyl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione](/api/spectrum/67KnLbX72eu/structure.png?h=300&w=458 "2-{2-[(4-methyl-6-phenyl-2-pyrimidinyl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione")
