| SpectraBase Spectrum ID |
8PRVVCPXJrQ |
| Name |
1,3,7-trimethyl-8-(3,4-dimethylphenyl)-xanthine |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H18N4O2 |
| InChI |
InChI=1S/C16H18N4O2/c1-9-6-7-11(8-10(9)2)13-17-14-12(18(13)3)15(21)20(5)16(22)19(14)4/h6-8H,1-5H3 |
| InChIKey |
MBJANLJXFDIDLG-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1021/ol200065s |
| Molecular Weight |
298.346 g/mol |
| SMILES |
C1(N(C(c2[n](c(nc2N1C)-c1ccc(c(c1)C)C)C)=O)C)=O |
| SPLASH |
splash10-0002-1090000000-432f771ccb9860d2bb12 |
| Source of Spectrum |
A1-13-1378/SMS20-3f |
| Synonyms |
8-(3,4-dimethylphenyl)-1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione
8-(3,4-dimethylphenyl)-1,3,7-trimethylpurine-2,6-dione
8-(3,4-dimethylphenyl)-1,3,7-trimethyl-purine-2,6-dione |
| Wiley ID |
1752855 |
