| SpectraBase Spectrum ID |
54Rc6gHyKE2 |
| Name |
7-(2-Chlorobenzyl)-1,3-dimethyl-8-[4-(2-pyridinyl)-1-piperazinyl]-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 |
465.168000739 u |
| Formula |
C23H24ClN7O2 |
| InChI |
InChI=1S/C23H24ClN7O2/c1-27-20-19(21(32)28(2)23(27)33)31(15-16-7-3-4-8-17(16)24)22(26-20)30-13-11-29(12-14-30)18-9-5-6-10-25-18/h3-10H,11-15H2,1-2H3 |
| InChIKey |
FYEKSLAAEXYIMA-UHFFFAOYSA-N |
| Molecular Weight |
465.945 g/mol |
| SMILES |
C12=C(N(CC=3C(Cl)=CC=CC3)C(=N1)N1CCN(CC1)C1=NC=CC=C1)C(=O)N(C(N2C)=O)C |
![7-(2-chlorobenzyl)-1,3-dimethyl-8-[4-(2-pyridinyl)-1-piperazinyl]-3,7-dihydro-1H-purine-2,6-dione](/api/spectrum/54Rc6gHyKE2/structure.png?h=300&w=458 "7-(2-chlorobenzyl)-1,3-dimethyl-8-[4-(2-pyridinyl)-1-piperazinyl]-3,7-dihydro-1H-purine-2,6-dione")
