| SpectraBase Spectrum ID |
BbK4QIY1IL0 |
| Name |
8-[(Dibenzylamino)methyl]-1,3-dimethyl-7-[2-(4-morpholinyl)ethyl]-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 |
502.269238976 u |
| Formula |
C28H34N6O3 |
| InChI |
InChI=1S/C28H34N6O3/c1-30-26-25(27(35)31(2)28(30)36)34(14-13-32-15-17-37-18-16-32)24(29-26)21-33(19-22-9-5-3-6-10-22)20-23-11-7-4-8-12-23/h3-12H,13-21H2,1-2H3 |
| InChIKey |
ZBCYQSSAWHVGJI-UHFFFAOYSA-N |
| Molecular Weight |
502.619 g/mol |
| SMILES |
C12=C(C(=O)N(C(N2C)=O)C)N(CCN2CCOCC2)C(=N1)CN(CC1=CC=CC=C1)CC1=CC=CC=C1 |
![8-[(dibenzylamino)methyl]-1,3-dimethyl-7-[2-(4-morpholinyl)ethyl]-3,7-dihydro-1H-purine-2,6-dione](/api/spectrum/BbK4QIY1IL0/structure.png?h=300&w=458 "8-[(dibenzylamino)methyl]-1,3-dimethyl-7-[2-(4-morpholinyl)ethyl]-3,7-dihydro-1H-purine-2,6-dione")
