| SpectraBase Spectrum ID |
IuVDobmowXF |
| Name |
7-(2-{[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino}ethyl)-1,3-dimethyl-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 |
375.154268791 u |
| Formula |
C17H21N5O5 |
| InChI |
InChI=1S/C17H21N5O5/c1-20-15-14(16(26)21(2)17(20)27)22(9-19-15)6-5-18-8-13(25)10-3-4-11(23)12(24)7-10/h3-4,7,9,13,18,23-25H,5-6,8H2,1-2H3 |
| InChIKey |
WMCMJIGLYZDKRN-UHFFFAOYSA-N |
| Molecular Weight |
375.385 g/mol |
| SMILES |
CN1C2=C(C(N(C)C1=O)=O)N(C=N2)CCNCC(C=1C=CC(=C(C1)O)O)O |
![7-(2-{[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino}ethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione](/api/spectrum/IuVDobmowXF/structure.png?h=300&w=458 "7-(2-{[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino}ethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione")
