| SpectraBase Spectrum ID |
AZzVi5fQ7c4 |
| Name |
7-(4-Chlorobenzyl)-1,3-dimethyl-8-{[2-(1-piperidinyl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
447.149573969 u |
| Formula |
C21H26ClN5O2S |
| InChI |
InChI=1S/C21H26ClN5O2S/c1-24-18-17(19(28)25(2)21(24)29)27(14-15-6-8-16(22)9-7-15)20(23-18)30-13-12-26-10-4-3-5-11-26/h6-9H,3-5,10-14H2,1-2H3 |
| InChIKey |
JITKPWYHHRRNRD-UHFFFAOYSA-N |
| Molecular Weight |
447.985 g/mol |
| SMILES |
C12=C(N(CC=3C=CC(=CC3)Cl)C(=N1)SCCN1CCCCC1)C(=O)N(C(N2C)=O)C |
![7-(4-chlorobenzyl)-1,3-dimethyl-8-{[2-(1-piperidinyl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione](/api/spectrum/AZzVi5fQ7c4/structure.png?h=300&w=458 "7-(4-chlorobenzyl)-1,3-dimethyl-8-{[2-(1-piperidinyl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione")
