| SpectraBase Spectrum ID |
1xQwrvN9Dwv |
| Name |
8-[Benzyl(methyl)amino]-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
441.136780797 u |
| Formula |
C22H21ClFN5O2 |
| InChI |
InChI=1S/C22H21ClFN5O2/c1-26(12-14-8-5-4-6-9-14)21-25-19-18(20(30)28(3)22(31)27(19)2)29(21)13-15-16(23)10-7-11-17(15)24/h4-11H,12-13H2,1-3H3 |
| InChIKey |
XGOHAUWRZRLNBN-UHFFFAOYSA-N |
| Molecular Weight |
441.894 g/mol |
| SMILES |
C12=C(N(CC3=C(Cl)C=CC=C3F)C(=N1)N(CC1=CC=CC=C1)C)C(=O)N(C(N2C)=O)C |
![8-[benzyl(methyl)amino]-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione](/api/spectrum/1xQwrvN9Dwv/structure.png?h=300&w=458 "8-[benzyl(methyl)amino]-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione")
