| SpectraBase Spectrum ID |
H6yPLzyB6lu |
| Name |
Xanthine, 1,3-diethyl-8-[4-[[[isopropylloxy]carbonyl]methoxy]phenyl]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.174669884 u |
| Formula |
C20H24N4O5 |
| InChI |
InChI=1S/C20H24N4O5/c1-5-23-18-16(19(26)24(6-2)20(23)27)21-17(22-18)13-7-9-14(10-8-13)28-11-15(25)29-12(3)4/h7-10,12H,5-6,11H2,1-4H3,(H,21,22) |
| InChIKey |
RFLOKEWPNHEUNX-UHFFFAOYSA-N |
| Molecular Weight |
400.435 g/mol |
| SMILES |
C1=C(C=CC(=C1)OCC(=O)OC(C)C)C1=NC2=C(C(N(CC)C(N2CC)=O)=O)N1 |
![Xanthine, 1,3-diethyl-8-[4-[[[isopropylloxy]carbonyl]methoxy]phenyl]-](/api/spectrum/H6yPLzyB6lu/structure.png?h=300&w=458 "Xanthine, 1,3-diethyl-8-[4-[[[isopropylloxy]carbonyl]methoxy]phenyl]-")
