| SpectraBase Spectrum ID |
BMpHR0Q0aKo |
| Name |
7-(4-Chlorobenzyl)-8-[(3-isopropoxypropyl)amino]-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 |
419.172417414 u |
| Formula |
C20H26ClN5O3 |
| InChI |
InChI=1S/C20H26ClN5O3/c1-13(2)29-11-5-10-22-19-23-17-16(18(27)25(4)20(28)24(17)3)26(19)12-14-6-8-15(21)9-7-14/h6-9,13H,5,10-12H2,1-4H3,(H,22,23) |
| InChIKey |
DALRQSFTQFHQPA-UHFFFAOYSA-N |
| Molecular Weight |
419.913 g/mol |
| SMILES |
N(C1=NC2=C(N1CC=1C=CC(=CC1)Cl)C(=O)N(C(N2C)=O)C)CCCOC(C)C |
![7-(4-chlorobenzyl)-8-[(3-isopropoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione](/api/spectrum/BMpHR0Q0aKo/structure.png?h=300&w=458 "7-(4-chlorobenzyl)-8-[(3-isopropoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione")
