| SpectraBase Spectrum ID |
5Vni8WLQgPd |
| Name |
8-[4-(3-Chlorophenyl)-1-piperazinyl]-7-isopentyl-3-methyl-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 |
430.188401831 u |
| Formula |
C21H27ClN6O2 |
| InChI |
InChI=1S/C21H27ClN6O2/c1-14(2)7-8-28-17-18(25(3)21(30)24-19(17)29)23-20(28)27-11-9-26(10-12-27)16-6-4-5-15(22)13-16/h4-6,13-14H,7-12H2,1-3H3,(H,24,29,30) |
| InChIKey |
FGOWLCPLIAQZBO-UHFFFAOYSA-N |
| Molecular Weight |
430.940 g/mol |
| SMILES |
N1C(C2=C(N(C1=O)C)N=C(N2CCC(C)C)N1CCN(CC1)C=1C=C(Cl)C=CC1)=O |
![8-[4-(3-chlorophenyl)-1-piperazinyl]-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione](/api/spectrum/5Vni8WLQgPd/structure.png?h=300&w=458 "8-[4-(3-chlorophenyl)-1-piperazinyl]-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione")
