| SpectraBase Spectrum ID |
2h7jZuxagy |
| Name |
1,3,7-trimethyl-8-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-purine-2,6-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H15N5O5S |
| InChI |
InChI=1S/C16H15N5O5S/c1-18-12-13(19(2)16(24)20(3)14(12)23)17-15(18)27-8-11(22)9-4-6-10(7-5-9)21(25)26/h4-7H,8H2,1-3H3 |
| InChIKey |
MZKIFZZUTISZMW-UHFFFAOYSA-N |
| Molecular Weight |
389.386 g/mol |
| SMILES |
c12c(C(=O)N(C(N2C)=O)C)[n](C)c(n1)SCC(c1ccc(N(=O)=O)cc1)=O |
| SPLASH |
splash10-0f9j-9641000000-395bbcf82eb7a38ab975 |
| Synonyms |
1,3,7-trimethyl-8-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-purine-2,6-dione
1,3,7-trimethyl-8-[[2-(4-nitrophenyl)-2-oxoethyl]thio]purine-2,6-dione
1,3,7-Trimethyl-8-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
8-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-1,3,7-trimethyl-xanthine |
| Wiley ID |
1452903 |
![1,3,7-trimethyl-8-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione](/api/spectrum/2h7jZuxagy/structure.png?h=300&w=458 "1,3,7-trimethyl-8-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione")
