| SpectraBase Spectrum ID |
27uoIOJiDCu |
| Name |
Acetic acid, [(3,4-dihydro-4-oxo-3,5-diphenylthieno[2,3-D]pyrimidin-2-yl)thio]-, 1,1-dimethylethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
450.107184921 u |
| Formula |
C24H22N2O3S2 |
| InChI |
InChI=1S/C24H22N2O3S2/c1-24(2,3)29-19(27)15-31-23-25-21-20(18(14-30-21)16-10-6-4-7-11-16)22(28)26(23)17-12-8-5-9-13-17/h4-14H,15H2,1-3H3 |
| InChIKey |
NVNJCDKDPMKFDZ-UHFFFAOYSA-N |
| Molecular Weight |
450.571 g/mol |
| SMILES |
C12=C(N=C(N(C2=O)C=2C=CC=CC2)SCC(OC(C)(C)C)=O)SC=C1C1=CC=CC=C1 |
![Acetic acid, [(3,4-dihydro-4-oxo-3,5-diphenylthieno[2,3-D]pyrimidin-2-yl)thio]-, 1,1-dimethylethyl ester](/api/spectrum/27uoIOJiDCu/structure.png?h=300&w=458 "Acetic acid, [(3,4-dihydro-4-oxo-3,5-diphenylthieno[2,3-D]pyrimidin-2-yl)thio]-, 1,1-dimethylethyl ester")
