| SpectraBase Spectrum ID |
4bcErdjmTJ4 |
| Name |
1-{4-[4-(Allyloxy)-3-methoxyphenyl]-6-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl}ethanone |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.135113747 u |
| Formula |
C22H22N2O3S |
| InChI |
InChI=1S/C22H22N2O3S/c1-4-12-27-17-11-10-16(13-18(17)26-3)21-19(14(2)25)20(23-22(28)24-21)15-8-6-5-7-9-15/h4-11,13,21H,1,12H2,2-3H3,(H2,23,24,28) |
| InChIKey |
ARJQWGDGOORFME-UHFFFAOYSA-N |
| Molecular Weight |
394.489 g/mol |
| SMILES |
N1C(NC(C(=C1C1=CC=CC=C1)C(=O)C)C1=CC(=C(C=C1)OCC=C)OC)=S |
![1-{4-[4-(Allyloxy)-3-methoxyphenyl]-6-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl}ethanone](/api/spectrum/4bcErdjmTJ4/structure.png?h=300&w=458 "1-{4-[4-(Allyloxy)-3-methoxyphenyl]-6-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl}ethanone")
