| SpectraBase Spectrum ID |
ALe4csvAEkj |
| Name |
8-((1-benzoylpropyl)thio)-3-methylxanthine |
| Alternate Name(s) |
8-[1-(Benzoyl)propylthio]-3-methylxanthine
8-[(1-benzoylpropyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H16N4O3S |
| InChI |
InChI=1S/C16H16N4O3S/c1-3-10(12(21)9-7-5-4-6-8-9)24-15-17-11-13(18-15)20(2)16(23)19-14(11)22/h4-8,10H,3H2,1-2H3,(H,17,18)(H,19,22,23) |
| InChIKey |
PJVLXQBVXZWWGB-UHFFFAOYSA-N |
| Molecular Weight |
344.389 g/mol |
| SMILES |
N1C(c2c(N(C1=O)C)nc(SC(C(=O)c1ccccc1)CC)[nH]2)=O |
| SPLASH |
splash10-0a74-5921000000-a20f591f4011c5c6312e |
| Source of Spectrum |
HC-23-1231-0 |
| Wiley ID |
1337672 |
