| SpectraBase Spectrum ID |
4oZoZ4uwfkw |
| Name |
(Z)-2-Amino-6-chloro-N(9)-(4-(diethylphosphono)-2-buten-1-yl)purine |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
359.091404187 u |
| Formula |
C13H19ClN5O3P |
| InChI |
InChI=1S/C13H19ClN5O3P/c1-3-21-23(20,22-4-2)8-6-5-7-19-9-16-10-11(14)17-13(15)18-12(10)19/h5-6,9H,3-4,7-8H2,1-2H3,(H2,15,17,18)/b6-5- |
| InChIKey |
JCHBJGWWYCFCTR-WAYWQWQTSA-N |
| Molecular Weight |
359.754 g/mol |
| SMILES |
C=12C(N=CN2C\C=C/CP(=O)(OCC)OCC)=C(Cl)N=C(N1)N |
