| SpectraBase Spectrum ID |
9T2LnpQfOqZ |
| Name |
3,7-Dimethyl-8-(2-phenylethynyl)-l-propargylxanthine |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H14N4O2 |
| InChI |
InChI=1S/C18H14N4O2/c1-4-12-22-17(23)15-16(21(3)18(22)24)19-14(20(15)2)11-10-13-8-6-5-7-9-13/h1,5-9H,12H2,2-3H3 |
| InChIKey |
JIHZMEMUWJTAIA-UHFFFAOYSA-N |
| Molecular Weight |
318.336 g/mol |
| SMILES |
c12c(C(=O)N(C(N2C)=O)CC#C)[n](C)c(n1)C#Cc1ccccc1 |
| SPLASH |
splash10-01b9-7908000000-d01e8489c1d639be09c6 |
| Source of Spectrum |
EMC-32-719-21 |
| Synonyms |
3,7-Dimethyl-8-(phenylethynyl)-1-(prop-2-yn-1-yl)-1H-purine-2,6(3H,7H)-dione
3,7-Dimethyl-8-(2-phenylethynyl)-1-prop-2-ynylpurine-2,6-dione
3,7-Dimethyl-8-(2-phenylethynyl)-1-prop-2-ynyl-purine-2,6-dione |
| Wiley ID |
1734357 |
