| SpectraBase Spectrum ID |
CyrIrXXZuCs |
| Name |
8-[(Dibenzylamino)methyl]-1,3-dimethyl-7-(2-oxopropyl)-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 |
445.211389746 u |
| Formula |
C25H27N5O3 |
| InChI |
InChI=1S/C25H27N5O3/c1-18(31)14-30-21(26-23-22(30)24(32)28(3)25(33)27(23)2)17-29(15-19-10-6-4-7-11-19)16-20-12-8-5-9-13-20/h4-13H,14-17H2,1-3H3 |
| InChIKey |
YSPYKDFWKQDYEI-UHFFFAOYSA-N |
| Molecular Weight |
445.523 g/mol |
| SMILES |
C12=C(N(C)C(N(C2=O)C)=O)N=C(N1CC(=O)C)CN(CC=1C=CC=CC1)CC1=CC=CC=C1 |
![8-[(dibenzylamino)methyl]-1,3-dimethyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione](/api/spectrum/CyrIrXXZuCs/structure.png?h=300&w=458 "8-[(dibenzylamino)methyl]-1,3-dimethyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione")
