| SpectraBase Spectrum ID |
84gYSr3Nwny |
| Name |
Xanthine, 1,3-diethyl-8-[4-[[[[diethylamino]ethylmethylamino]carbonyl]methoxyphenyl]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
442.232853466 u |
| Formula |
C22H30N6O4 |
| InChI |
InChI=1S/C22H30N6O4/c1-6-27-20-18(21(30)28(7-2)22(27)31)23-19(24-20)15-8-10-16(11-9-15)32-14-17(29)26(5)13-12-25(3)4/h8-11H,6-7,12-14H2,1-5H3,(H,23,24) |
| InChIKey |
DYKMBZZYWFIXJD-UHFFFAOYSA-N |
| Molecular Weight |
442.520 g/mol |
| SMILES |
C1=C(C=CC(=C1)OCC(=O)N(CCN(C)C)C)C1=NC2=C(C(N(CC)C(N2CC)=O)=O)N1 |
![Xanthine, 1,3-diethyl-8-[4-[[[[diethylamino]ethylmethylamino]carbonyl]methoxyphenyl]-](/api/spectrum/84gYSr3Nwny/structure.png?h=300&w=458 "Xanthine, 1,3-diethyl-8-[4-[[[[diethylamino]ethylmethylamino]carbonyl]methoxyphenyl]-")
