| SpectraBase Spectrum ID |
4CGMduj356 |
| Name |
3-[2-Amino-5-(4-methylphenyl)-7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-3-yl]propanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H19N5O2 |
| InChI |
InChI=1S/C21H19N5O2/c1-14-7-9-15(10-8-14)17-13-18(16-5-3-2-4-6-16)26-21(23-17)25(20(22)24-26)12-11-19(27)28/h2-10,13H,11-12H2,1H3,(H2-,22,24,27,28) |
| InChIKey |
ULBFYZYVCCARRG-UHFFFAOYSA-N |
| Molecular Weight |
373.416 g/mol |
| SMILES |
Nc1n[n+]2c([n]1CCC([O-])=O)nc(cc2-c1ccccc1)-c1ccc(cc1)C |
| SPLASH |
splash10-0ukc-9003000000-d597136c3db9284476c3 |
| Source of Spectrum |
F-70-700-18 |
| Synonyms |
3-(2-amino-7-phenyl-5-(p-tolyl)-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-3-yl)propanoate |
| Wiley ID |
1742551 |
![3-[2-Amino-5-(4-methylphenyl)-7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-3-yl]propanoate](/api/spectrum/4CGMduj356/structure.png?h=300&w=458 "3-[2-Amino-5-(4-methylphenyl)-7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-3-yl]propanoate")
