| SpectraBase Spectrum ID |
JVB9kNjvUbX |
| Name |
1H-Purine-2,6-dione, 7-[(2-chloro-6-fluorophenyl)methyl]-3,7-dihydro-1,3-dimethyl-8-[4-(phenylmethyl)-1-piperazinyl]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
496.178979962 u |
| Formula |
C25H26ClFN6O2 |
| InChI |
InChI=1S/C25H26ClFN6O2/c1-29-22-21(23(34)30(2)25(29)35)33(16-18-19(26)9-6-10-20(18)27)24(28-22)32-13-11-31(12-14-32)15-17-7-4-3-5-8-17/h3-10H,11-16H2,1-2H3 |
| InChIKey |
YAVRCYWCZWJLKW-UHFFFAOYSA-N |
| Molecular Weight |
496.974 g/mol |
| SMILES |
C12=C(N(CC=3C(Cl)=CC=CC3F)C(=N1)N1CCN(CC1)CC1=CC=CC=C1)C(=O)N(C(N2C)=O)C |
![1H-purine-2,6-dione, 7-[(2-chloro-6-fluorophenyl)methyl]-3,7-dihydro-1,3-dimethyl-8-[4-(phenylmethyl)-1-piperazinyl]-](/api/spectrum/JVB9kNjvUbX/structure.png?h=300&w=458 "1H-purine-2,6-dione, 7-[(2-chloro-6-fluorophenyl)methyl]-3,7-dihydro-1,3-dimethyl-8-[4-(phenylmethyl)-1-piperazinyl]-")
