| SpectraBase Spectrum ID |
3BcGPQED5PS |
| Name |
7-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-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 |
339.096753915 u |
| Formula |
C16H13N5O4 |
| InChI |
InChI=1S/C16H13N5O4/c1-18-12-11(15(24)19(2)16(18)25)20(7-17-12)8-21-13(22)9-5-3-4-6-10(9)14(21)23/h3-7H,8H2,1-2H3 |
| InChIKey |
ROAAOXVOVASKRW-UHFFFAOYSA-N |
| Molecular Weight |
339.311 g/mol |
| SMILES |
C1=CC=2C(N(C(C2C=C1)=O)CN1C2=C(N(C)C(N(C2=O)C)=O)N=C1)=O |
![7-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione](/api/spectrum/3BcGPQED5PS/structure.png?h=300&w=458 "7-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione")
