| SpectraBase Spectrum ID |
GAi8AV0CcrZ |
| Name |
Xanthine, 1,3-di-N-propyl-8-[2-[3,5-dimethoxyphenyl]ethenyl]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.195405329 u |
| Formula |
C21H26N4O4 |
| InChI |
InChI=1S/C21H26N4O4/c1-5-9-24-19-18(20(26)25(10-6-2)21(24)27)22-17(23-19)8-7-14-11-15(28-3)13-16(12-14)29-4/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,22,23)/b8-7+ |
| InChIKey |
IFYQMQURNXKFLL-BQYQJAHWSA-N |
| Molecular Weight |
398.463 g/mol |
| SMILES |
C1(N(C(C2=C(N1CCC)N=C(N2)\C=C\C1=CC(=CC(=C1)OC)OC)=O)CCC)=O |
![Xanthine, 1,3-di-N-propyl-8-[2-[3,5-dimethoxyphenyl]ethenyl]-](/api/spectrum/GAi8AV0CcrZ/structure.png?h=300&w=458 "Xanthine, 1,3-di-N-propyl-8-[2-[3,5-dimethoxyphenyl]ethenyl]-")
