| SpectraBase Spectrum ID |
CqF3L0oPfQE |
| Name |
9-(4-Tert-butylphenyl)-6,6-dimethyl-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-B]quinazolin-8-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.210661472 u |
| Formula |
C21H26N4O |
| InChI |
InChI=1S/C21H26N4O/c1-20(2,3)14-8-6-13(7-9-14)18-17-15(10-21(4,5)11-16(17)26)24-19-22-12-23-25(18)19/h6-9,12,18H,10-11H2,1-5H3,(H,22,23,24) |
| InChIKey |
SWLRHSGCJAMKIK-UHFFFAOYSA-N |
| Molecular Weight |
350.466 g/mol |
| SMILES |
C12=C(NC3=NC=NN3C2C2=CC=C(C(C)(C)C)C=C2)CC(C)(C)CC1=O |
![9-(4-Tert-butylphenyl)-6,6-dimethyl-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-B]quinazolin-8-one](/api/spectrum/CqF3L0oPfQE/structure.png?h=300&w=458 "9-(4-Tert-butylphenyl)-6,6-dimethyl-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-B]quinazolin-8-one")
