| SpectraBase Spectrum ID |
tXdTwq8rTd |
| Name |
8-[4-(2-Hydroxyethyl)-1-piperazinyl]-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-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 |
458.227768085 u |
| Formula |
C22H30N6O5 |
| InChI |
InChI=1S/C22H30N6O5/c1-24-19-18(20(31)25(2)22(24)32)28(14-16(30)15-33-17-6-4-3-5-7-17)21(23-19)27-10-8-26(9-11-27)12-13-29/h3-7,16,29-30H,8-15H2,1-2H3 |
| InChIKey |
YKUXHUHAOIAMSL-UHFFFAOYSA-N |
| Molecular Weight |
458.519 g/mol |
| SMILES |
OC(CN1C2=C(N=C1N1CCN(CCO)CC1)N(C(N(C2=O)C)=O)C)COC=1C=CC=CC1 |
![8-[4-(2-hydroxyethyl)-1-piperazinyl]-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione](/api/spectrum/tXdTwq8rTd/structure.png?h=300&w=458 "8-[4-(2-hydroxyethyl)-1-piperazinyl]-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione")
