| SpectraBase Spectrum ID |
DPgkQ2oV4ME |
| Name |
3-(4-Methylphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-D]pyrimidin-4(3H)-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.098334316 u |
| Formula |
C17H16N2OS |
| InChI |
InChI=1S/C17H16N2OS/c1-11-6-8-12(9-7-11)19-10-18-16-15(17(19)20)13-4-2-3-5-14(13)21-16/h6-10H,2-5H2,1H3 |
| InChIKey |
DALLKUNDLVCQBI-UHFFFAOYSA-N |
| Molecular Weight |
296.388 g/mol |
| SMILES |
C12=C(N=CN(C2=O)C2=CC=C(C=C2)C)SC2=C1CCCC2 |
![3-(4-methylphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one](/api/spectrum/DPgkQ2oV4ME/structure.png?h=300&w=458 "3-(4-methylphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one")
