| SpectraBase Spectrum ID |
6JIsuvwSFX2 |
| Name |
7-Allyl-8-[4-[(3,5-dichloro-2-pyridyl)oxy]phenoxy]-1,3-dimethyl-purine-2,6-dione |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
473.065759443 u |
| Formula |
C21H17Cl2N5O4 |
| InChI |
InChI=1S/C21H17Cl2N5O4/c1-4-9-28-16-17(26(2)21(30)27(3)19(16)29)25-20(28)32-14-7-5-13(6-8-14)31-18-15(23)10-12(22)11-24-18/h4-8,10-11H,1,9H2,2-3H3 |
| InChIKey |
HWIBBSOGRIWPPQ-UHFFFAOYSA-N |
| Molecular Weight |
474.304 g/mol |
| SMILES |
C12=C(C(=O)N(C(N2C)=O)C)N(CC=C)C(=N1)OC=1C=CC(OC2=NC=C(C=C2Cl)Cl)=CC1 |
![7-Allyl-8-[4-[(3,5-dichloro-2-pyridyl)oxy]phenoxy]-1,3-dimethyl-purine-2,6-dione](/api/spectrum/6JIsuvwSFX2/structure.png?h=300&w=458 "7-Allyl-8-[4-[(3,5-dichloro-2-pyridyl)oxy]phenoxy]-1,3-dimethyl-purine-2,6-dione")
