| SpectraBase Spectrum ID |
CwkR4P1fFXE |
| Name |
1H-Purine-7-acetamide, N-[3-(hexyloxy)phenyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
413.206304365 u |
| Formula |
C21H27N5O4 |
| InChI |
InChI=1S/C21H27N5O4/c1-4-5-6-7-11-30-16-10-8-9-15(12-16)23-17(27)13-26-14-22-19-18(26)20(28)25(3)21(29)24(19)2/h8-10,12,14H,4-7,11,13H2,1-3H3,(H,23,27) |
| InChIKey |
HIJSLLMKJUVVQS-UHFFFAOYSA-N |
| Molecular Weight |
413.478 g/mol |
| SMILES |
N(C(CN1C2=C(N(C(N(C)C2=O)=O)C)N=C1)=O)C=1C=C(C=CC1)OCCCCCC |
![1H-purine-7-acetamide, N-[3-(hexyloxy)phenyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-](/api/spectrum/CwkR4P1fFXE/structure.png?h=300&w=458 "1H-purine-7-acetamide, N-[3-(hexyloxy)phenyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-")
