| SpectraBase Spectrum ID |
1DuMbFQqvrh |
| Name |
1,3-Dimethyl-7-(4-methylbenzyl)-8-{[2-(4-morpholinyl)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 |
429.183460920 u |
| Formula |
C21H27N5O3S |
| InChI |
InChI=1S/C21H27N5O3S/c1-15-4-6-16(7-5-15)14-26-17-18(23(2)21(28)24(3)19(17)27)22-20(26)30-13-10-25-8-11-29-12-9-25/h4-7H,8-14H2,1-3H3 |
| InChIKey |
KKIZUMXLPKYFJA-UHFFFAOYSA-N |
| Molecular Weight |
429.539 g/mol |
| SMILES |
C12=C(N(CC3=CC=C(C=C3)C)C(=N1)SCCN1CCOCC1)C(=O)N(C(N2C)=O)C |
![1,3-dimethyl-7-(4-methylbenzyl)-8-{[2-(4-morpholinyl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione](/api/spectrum/1DuMbFQqvrh/structure.png?h=300&w=458 "1,3-dimethyl-7-(4-methylbenzyl)-8-{[2-(4-morpholinyl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione")
