| SpectraBase Spectrum ID |
1nn2b2qXwue |
| Name |
8-{[Benzyl(methyl)amino]methyl}-7-(2-ethoxyethyl)-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 |
385.211389746 u |
| Formula |
C20H27N5O3 |
| InChI |
InChI=1S/C20H27N5O3/c1-5-28-12-11-25-16(14-22(2)13-15-9-7-6-8-10-15)21-18-17(25)19(26)24(4)20(27)23(18)3/h6-10H,5,11-14H2,1-4H3 |
| InChIKey |
PJMHHGPHAOJTNL-UHFFFAOYSA-N |
| Molecular Weight |
385.468 g/mol |
| SMILES |
C12=C(C(=O)N(C(N2C)=O)C)N(CCOCC)C(=N1)CN(CC1=CC=CC=C1)C |
![8-{[benzyl(methyl)amino]methyl}-7-(2-ethoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione](/api/spectrum/1nn2b2qXwue/structure.png?h=300&w=458 "8-{[benzyl(methyl)amino]methyl}-7-(2-ethoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione")
