| SpectraBase Spectrum ID |
A3woNqaCGXs |
| Name |
N-(4-Chlorophenyl)-2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
407.081888331 u |
| Formula |
C17H18ClN5O3S |
| InChI |
InChI=1S/C17H18ClN5O3S/c1-4-23-13-14(21(2)17(26)22(3)15(13)25)20-16(23)27-9-12(24)19-11-7-5-10(18)6-8-11/h5-8H,4,9H2,1-3H3,(H,19,24) |
| InChIKey |
OLQVGPICNYDHJI-UHFFFAOYSA-N |
| Molecular Weight |
407.876 g/mol |
| SMILES |
N(C(CSC1=NC2=C(C(=O)N(C(N2C)=O)C)N1CC)=O)C=1C=CC(=CC1)Cl |
![N-(4-chlorophenyl)-2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide](/api/spectrum/A3woNqaCGXs/structure.png?h=300&w=458 "N-(4-chlorophenyl)-2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide")
