| SpectraBase Spectrum ID |
AQTDM9QvIhR |
| Name |
3-[2-Amino-6-(ethoxycarbonyl)-5-methyl-7-phenyl-4,7-dihydro-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 |
C18H21N5O4 |
| InChI |
InChI=1S/C18H21N5O4/c1-3-27-16(26)14-11(2)20-18-22(10-9-13(24)25)17(19)21-23(18)15(14)12-7-5-4-6-8-12/h4-8,15H,3,9-10H2,1-2H3,(H3,19,21,24,25) |
| InChIKey |
RZHCQYYRFGHEKF-UHFFFAOYSA-N |
| Molecular Weight |
371.397 g/mol |
| SMILES |
Nc1n[n+]2c([n]1CCC([O-])=O)NC(=C(C2c1ccccc1)C(=O)OCC)C |
| SPLASH |
splash10-00fs-9540000000-2acadd35385ae8de41f7 |
| Source of Spectrum |
F-70-700-19 |
| Synonyms |
3-(2-amino-6-(ethoxycarbonyl)-5-methyl-7-phenyl-4,7-dihydro-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-3-yl)propanoate |
| Wiley ID |
1742550 |
![3-[2-Amino-6-(ethoxycarbonyl)-5-methyl-7-phenyl-4,7-dihydro-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-3-yl]propanoate](/api/spectrum/AQTDM9QvIhR/structure.png?h=300&w=458 "3-[2-Amino-6-(ethoxycarbonyl)-5-methyl-7-phenyl-4,7-dihydro-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-3-yl]propanoate")
