| SpectraBase Spectrum ID |
FKJDfcOZ0EC |
| Name |
8-Benzoylmethylthio-3-methylxanthine |
| Alternate Name(s) |
8-(benzoylmethylthio)-3-methylxanthine
3-Methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H12N4O3S |
| InChI |
InChI=1S/C14H12N4O3S/c1-18-11-10(12(20)17-14(18)21)15-13(16-11)22-7-9(19)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,15,16)(H,17,20,21) |
| InChIKey |
HOFCGNJXHSBVNT-UHFFFAOYSA-N |
| Molecular Weight |
316.335 g/mol |
| SMILES |
N1C(c2c(N(C1=O)C)nc(SCC(=O)c1ccccc1)[nH]2)=O |
| SPLASH |
splash10-0a4i-4921000000-b43d06ceed3dcf3a158b |
| Source of Spectrum |
HC-23-1231-0 |
| Wiley ID |
1316430 |
