| SpectraBase Spectrum ID |
ANWVop3ev7 |
| Name |
2-[[2-[(4-Keto-5,6-dimethyl-3-phenyl-thieno[2,3-D]pyrimidin-2-yl)thio]acetyl]amino]benzoic acid methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
479.097348512 u |
| Formula |
C24H21N3O4S2 |
| InChI |
InChI=1S/C24H21N3O4S2/c1-14-15(2)33-21-20(14)22(29)27(16-9-5-4-6-10-16)24(26-21)32-13-19(28)25-18-12-8-7-11-17(18)23(30)31-3/h4-12H,13H2,1-3H3,(H,25,28) |
| InChIKey |
SHGIXTZUTBSIGZ-UHFFFAOYSA-N |
| Molecular Weight |
479.569 g/mol |
| SMILES |
C12=C(N=C(N(C2=O)C2=CC=CC=C2)SCC(NC2=C(C(=O)OC)C=CC=C2)=O)SC(=C1C)C |
![2-[[2-[(4-Keto-5,6-dimethyl-3-phenyl-thieno[2,3-D]pyrimidin-2-yl)thio]acetyl]amino]benzoic acid methyl ester](/api/spectrum/ANWVop3ev7/structure.png?h=300&w=458 "2-[[2-[(4-Keto-5,6-dimethyl-3-phenyl-thieno[2,3-D]pyrimidin-2-yl)thio]acetyl]amino]benzoic acid methyl ester")
