| SpectraBase Spectrum ID |
Et3DKHgPdTY |
| Name |
2-{4-[(2E)-3-(1,3-Benzodioxol-5-yl)-2-propenoyl]-1-piperazinyl}pyrimidine |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.137890453 u |
| Formula |
C18H18N4O3 |
| InChI |
InChI=1S/C18H18N4O3/c23-17(5-3-14-2-4-15-16(12-14)25-13-24-15)21-8-10-22(11-9-21)18-19-6-1-7-20-18/h1-7,12H,8-11,13H2/b5-3+ |
| InChIKey |
PQONNBGTTKCGJM-HWKANZROSA-N |
| Molecular Weight |
338.367 g/mol |
| SMILES |
C1(N2CCN(CC2)C(\C=C\C=2C=C3OCOC3=CC2)=O)=NC=CC=N1 |
![2-{4-[(2E)-3-(1,3-benzodioxol-5-yl)-2-propenoyl]-1-piperazinyl}pyrimidine](/api/spectrum/Et3DKHgPdTY/structure.png?h=300&w=458 "2-{4-[(2E)-3-(1,3-benzodioxol-5-yl)-2-propenoyl]-1-piperazinyl}pyrimidine")
