| SpectraBase Spectrum ID |
8AEADgss7zt |
| Name |
2-(7-Benzyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-N-(4-fluorophenyl)acetamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
453.127088858 u |
| Formula |
C22H20FN5O3S |
| InChI |
InChI=1S/C22H20FN5O3S/c1-26-19-18(20(30)27(2)22(26)31)28(12-14-6-4-3-5-7-14)21(25-19)32-13-17(29)24-16-10-8-15(23)9-11-16/h3-11H,12-13H2,1-2H3,(H,24,29) |
| InChIKey |
HLOXXJUVDHNOPP-UHFFFAOYSA-N |
| Molecular Weight |
453.492 g/mol |
| SMILES |
C1(=O)N(C2=C(N(C(=N2)SCC(NC2=CC=C(C=C2)F)=O)CC2=CC=CC=C2)C(=O)N1C)C |
