| SpectraBase Spectrum ID |
81up4gC3iXu |
| Name |
(2E)-N-[4-Cyano-1-(4,6-dimethyl-2-pyrimidinyl)-1H-pyrazol-5-yl]-3-(3,4-dimethoxyphenyl)-2-propenamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.159688525 u |
| Formula |
C21H20N6O3 |
| InChI |
InChI=1S/C21H20N6O3/c1-13-9-14(2)25-21(24-13)27-20(16(11-22)12-23-27)26-19(28)8-6-15-5-7-17(29-3)18(10-15)30-4/h5-10,12H,1-4H3,(H,26,28)/b8-6+ |
| InChIKey |
QRHFLVOQVHRSRM-SOFGYWHQSA-N |
| Molecular Weight |
404.430 g/mol |
| SMILES |
N(C=1N(C2=NC(C)=CC(=N2)C)N=CC1C#N)C(\C=C\C=1C=C(OC)C(=CC1)OC)=O |
![(2E)-N-[4-cyano-1-(4,6-dimethyl-2-pyrimidinyl)-1H-pyrazol-5-yl]-3-(3,4-dimethoxyphenyl)-2-propenamide](/api/spectrum/81up4gC3iXu/structure.png?h=300&w=458 "(2E)-N-[4-cyano-1-(4,6-dimethyl-2-pyrimidinyl)-1H-pyrazol-5-yl]-3-(3,4-dimethoxyphenyl)-2-propenamide")
