| SpectraBase Spectrum ID |
3iZgtmjQXkx |
| Name |
1H-Purine-2,6-dione, 3,7-dihydro-7-(3-trifluoromethylbenzyl)-8-mercapto-1,3-dimethyl- |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H13F3N4O2S |
| InChI |
InChI=1S/C15H13F3N4O2S/c1-20-11-10(12(23)21(2)14(20)24)22(13(25)19-11)7-8-4-3-5-9(6-8)15(16,17)18/h3-6H,7H2,1-2H3,(H,19,25) |
| InChIKey |
FIKBJHMBMNFSBL-UHFFFAOYSA-N |
| Molecular Weight |
370.350 g/mol |
| SMILES |
Sc1nc2c([n]1Cc1cc(C(F)(F)F)ccc1)C(=O)N(C(N2C)=O)C |
| SPLASH |
splash10-0bt9-5932000000-ff9551ab0f435d399e47 |
| Source of Spectrum |
AD-0-2532-0 |
| Synonyms |
1,3-Dimethyl-8-sulfanyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione
1,3-Dimethyl-8-sulfanylidene-7-[[3-(trifluoromethyl)phenyl]methyl]-9H-purine-2,6-dione
1,3-Dimethyl-8-thioxo-7-[3-(trifluoromethyl)benzyl]-9H-purine-2,6-quinone
1,3-Dimethyl-8-thioxo-7-[[3-(trifluoromethyl)phenyl]methyl]-9H-purine-2,6-dione |
| Wiley ID |
1429285 |
