| SpectraBase Spectrum ID |
FLKCnJa24tK |
| Name |
p-{[2,4-Diamino-6-(pentylamino)pyrimidin-5-yl]azo}benzoic acid, ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
371.206973071 u |
| Formula |
C18H25N7O2 |
| InChI |
InChI=1S/C18H25N7O2/c1-3-5-6-11-21-16-14(15(19)22-18(20)23-16)25-24-13-9-7-12(8-10-13)17(26)27-4-2/h7-10H,3-6,11H2,1-2H3,(H5,19,20,21,22,23)/b25-24+ |
| InChIKey |
YSOBCWZILPMTSR-OCOZRVBESA-N |
| SMILES |
NC=1C(=C(N=C(N1)N)NCCCCC)\N=N\C=1C=CC(=CC1)C(OCC)=O |
![p-{[2,4-Diamino-6-(pentylamino)pyrimidin-5-yl]azo}benzoic acid, ethyl ester](/api/spectrum/FLKCnJa24tK/structure.png?h=300&w=458 "p-{[2,4-Diamino-6-(pentylamino)pyrimidin-5-yl]azo}benzoic acid, ethyl ester")
