| SpectraBase Spectrum ID |
9VV8a4grpgz |
| Name |
Acetic acid, [[3,4,5,6,7,8-hexahydro-4-oxo-3-(phenylmethyl)benzo[4,5]thieno[2,3-D]pyrimidin-2-yl]thio]-, pentyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
456.154135115 u |
| Formula |
C24H28N2O3S2 |
| InChI |
InChI=1S/C24H28N2O3S2/c1-2-3-9-14-29-20(27)16-30-24-25-22-21(18-12-7-8-13-19(18)31-22)23(28)26(24)15-17-10-5-4-6-11-17/h4-6,10-11H,2-3,7-9,12-16H2,1H3 |
| InChIKey |
OYAFNWKONQXPLX-UHFFFAOYSA-N |
| Molecular Weight |
456.619 g/mol |
| SMILES |
C12=C(N=C(N(C2=O)CC2=CC=CC=C2)SCC(=O)OCCCCC)SC2=C1CCCC2 |
![Acetic acid, [[3,4,5,6,7,8-hexahydro-4-oxo-3-(phenylmethyl)benzo[4,5]thieno[2,3-D]pyrimidin-2-yl]thio]-, pentyl ester](/api/spectrum/9VV8a4grpgz/structure.png?h=300&w=458 "Acetic acid, [[3,4,5,6,7,8-hexahydro-4-oxo-3-(phenylmethyl)benzo[4,5]thieno[2,3-D]pyrimidin-2-yl]thio]-, pentyl ester")
