| SpectraBase Spectrum ID |
21Kw2RS3Nvt |
| Name |
2-(4-Methylphenyl)-8-oxo-4-phenyl-1,4,7,8,9,10-hexahydro[1,2,4]triazolo[1,5-a:4,3-a']dipyrimidin-5-ium chloride |
| Alternate Name(s) |
8-Oxo-4-phenyl-2-(p-tolyl)-1,4,7,8,9,10-hexahydro-[1,2,4]triazolo[1,5-a:4,3-a']dipyrimidin-5-ium chloride |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H20ClN5O |
| InChI |
InChI=1S/C21H19N5O.ClH/c1-14-7-9-15(10-8-14)17-13-18(16-5-3-2-4-6-16)26-21(22-17)25-12-11-19(27)23-20(25)24-26;/h2-10,13,18H,11-12H2,1H3,(H,23,24,27);1H |
| InChIKey |
WVADAUAUWUFDSN-UHFFFAOYSA-N |
| Molecular Weight |
393.878 g/mol |
| SMILES |
[Cl-].N1C(CC[n]2c1n[n+]1c2NC(=CC1c1ccccc1)c1ccc(C)cc1)=O |
| SPLASH |
splash10-0019-9040000000-1954c0c59d3376c5e2a4 |
| Source of Spectrum |
F-70-696-8d |
| Wiley ID |
1742571 |
![2-(4-Methylphenyl)-8-oxo-4-phenyl-1,4,7,8,9,10-hexahydro[1,2,4]triazolo[1,5-a:4,3-a']dipyrimidin-5-ium chloride](/api/spectrum/21Kw2RS3Nvt/structure.png?h=300&w=458 "2-(4-Methylphenyl)-8-oxo-4-phenyl-1,4,7,8,9,10-hexahydro[1,2,4]triazolo[1,5-a:4,3-a']dipyrimidin-5-ium chloride")
