| SpectraBase Spectrum ID |
1BnPXj5gOfu |
| Name |
8-((p-chlorobenzoyl)methylthio)-3-methylxanthine |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H11ClN4O3S |
| InChI |
InChI=1S/C14H11ClN4O3S/c1-19-11-10(12(21)18-14(19)22)16-13(17-11)23-6-9(20)7-2-4-8(15)5-3-7/h2-5H,6H2,1H3,(H,16,17)(H,18,21,22) |
| InChIKey |
LHTHMHXESXHXKJ-UHFFFAOYSA-N |
| Molecular Weight |
350.780 g/mol |
| SMILES |
N1C(c2c(N(C1=O)C)nc(SCC(c1ccc(cc1)Cl)=O)[nH]2)=O |
| SPLASH |
splash10-03di-1921000000-32d1cc6901394ea81c93 |
| Source of Spectrum |
HC-23-1231-0 |
| Synonyms |
8-[(p-Chlorobenzoyl)methylthio]-3-methylxanthine
8-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Wiley ID |
1341645 |
