| SpectraBase Spectrum ID |
9Tm64cVbZPK |
| Name |
1,3-Dimethyl-7-phenacyl-8-[4-(phenylmethyl)-1-piperazinyl]purine-2,6-dione |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
472.222288783 u |
| Formula |
C26H28N6O3 |
| InChI |
InChI=1S/C26H28N6O3/c1-28-23-22(24(34)29(2)26(28)35)32(18-21(33)20-11-7-4-8-12-20)25(27-23)31-15-13-30(14-16-31)17-19-9-5-3-6-10-19/h3-12H,13-18H2,1-2H3 |
| InChIKey |
RXXBTALHSACIEO-UHFFFAOYSA-N |
| Molecular Weight |
472.549 g/mol |
| SMILES |
C12=C(N(CC(=O)C=3C=CC=CC3)C(=N1)N1CCN(CC1)CC1=CC=CC=C1)C(=O)N(C(N2C)=O)C |
![1,3-Dimethyl-7-phenacyl-8-[4-(phenylmethyl)-1-piperazinyl]purine-2,6-dione](/api/spectrum/9Tm64cVbZPK/structure.png?h=300&w=458 "1,3-Dimethyl-7-phenacyl-8-[4-(phenylmethyl)-1-piperazinyl]purine-2,6-dione")
