| SpectraBase Spectrum ID |
5oQs97jKfOh |
| Name |
7-(2-Chlorobenzyl)-1,3-dimethyl-8-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylthio]xanthine |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
489.098601022 u |
| Formula |
C20H20ClN7O4S |
| InChI |
InChI=1S/C20H20ClN7O4S/c1-12-22-10-15(28(31)32)26(12)8-9-33-19-23-17-16(18(29)25(3)20(30)24(17)2)27(19)11-13-6-4-5-7-14(13)21/h4-7,10H,8-9,11H2,1-3H3 |
| InChIKey |
YTCMCAJISQTDPS-UHFFFAOYSA-N |
| Molecular Weight |
489.938 g/mol |
| SMILES |
C12=C(N(CC=3C(Cl)=CC=CC3)C(=N1)SCCN1C(N(=O)=O)=CN=C1C)C(=O)N(C(N2C)=O)C |
![7-(2-Chlorobenzyl)-1,3-dimethyl-8-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylthio]xanthine](/api/spectrum/5oQs97jKfOh/structure.png?h=300&w=458 "7-(2-Chlorobenzyl)-1,3-dimethyl-8-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylthio]xanthine")
