| SpectraBase Spectrum ID |
4somaiLBpnZ |
| Name |
3-Methyl-7-[3-(2-methylphenoxy)-2-oxidanyl-propyl]-8-piperidin-1-yl-purine-2,6-dione |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
413.206304365 u |
| Formula |
C21H27N5O4 |
| InChI |
InChI=1S/C21H27N5O4/c1-14-8-4-5-9-16(14)30-13-15(27)12-26-17-18(24(2)21(29)23-19(17)28)22-20(26)25-10-6-3-7-11-25/h4-5,8-9,15,27H,3,6-7,10-13H2,1-2H3,(H,23,28,29) |
| InChIKey |
ODMBQAVWRIMLGH-UHFFFAOYSA-N |
| Molecular Weight |
413.478 g/mol |
| SMILES |
C12=C(N(CC(COC3=C(C)C=CC=C3)O)C(=N1)N1CCCCC1)C(=O)NC(N2C)=O |
![3-Methyl-7-[3-(2-methylphenoxy)-2-oxidanyl-propyl]-8-piperidin-1-yl-purine-2,6-dione](/api/spectrum/4somaiLBpnZ/structure.png?h=300&w=458 "3-Methyl-7-[3-(2-methylphenoxy)-2-oxidanyl-propyl]-8-piperidin-1-yl-purine-2,6-dione")
