| SpectraBase Spectrum ID |
6OXwHOg7dv9 |
| Name |
8-[4-(4-Methoxyphenyl)-1-piperazinyl]-3-methyl-7-[2-(2-pyrimidinylsulfanyl)ethyl]-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 |
494.184857900 u |
| Formula |
C23H26N8O3S |
| InChI |
InChI=1S/C23H26N8O3S/c1-28-19-18(20(32)27-23(28)33)31(14-15-35-21-24-8-3-9-25-21)22(26-19)30-12-10-29(11-13-30)16-4-6-17(34-2)7-5-16/h3-9H,10-15H2,1-2H3,(H,27,32,33) |
| InChIKey |
DDBRHAPJCBXQEP-UHFFFAOYSA-N |
| Molecular Weight |
494.574 g/mol |
| SMILES |
N1C(C2=C(N(C1=O)C)N=C(N2CCSC=1N=CC=CN1)N1CCN(CC1)C1=CC=C(C=C1)OC)=O |
![8-[4-(4-methoxyphenyl)-1-piperazinyl]-3-methyl-7-[2-(2-pyrimidinylsulfanyl)ethyl]-3,7-dihydro-1H-purine-2,6-dione](/api/spectrum/6OXwHOg7dv9/structure.png?h=300&w=458 "8-[4-(4-methoxyphenyl)-1-piperazinyl]-3-methyl-7-[2-(2-pyrimidinylsulfanyl)ethyl]-3,7-dihydro-1H-purine-2,6-dione")
