| SpectraBase Spectrum ID |
7BbpUbEspk8 |
| Name |
1H-Purine-2,6-dione, 3,7-dihydro-1,7-dimethyl-3-(methyl-D3)- |
| CAS Registry Number |
71195-03-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H7D3N4O2 |
| InChI |
InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3/i2D3 |
| InChIKey |
RYYVLZVUVIJVGH-BMSJAHLVSA-N |
| Molecular Weight |
197.212 g/mol |
| SMILES |
c12c(C(=O)N(C(N2C([2D])([2D])[2D])=O)C)[n](C)cn1 |
| SPLASH |
splash10-052b-5900000000-8c988fa690ba3ec1e653 |
| Source of Spectrum |
KO-9-105-1 |
| Synonyms |
Deuteromethyl derivative of theobromine
1,7-Dimethyl-3-(trideuteriomethyl)purine-2,6-dione |
| Wiley ID |
1190182 |
