| SpectraBase Spectrum ID |
7j7Qdaa2zfu |
| Name |
Benzoic acid, 2-[[[(4,6-dimethyl-2-pyrimidinyl)thio]acetyl]amino]-, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.099062590 u |
| Formula |
C16H17N3O3S |
| InChI |
InChI=1S/C16H17N3O3S/c1-10-8-11(2)18-16(17-10)23-9-14(20)19-13-7-5-4-6-12(13)15(21)22-3/h4-8H,9H2,1-3H3,(H,19,20) |
| InChIKey |
BZGMFGOFHNZJAZ-UHFFFAOYSA-N |
| Molecular Weight |
331.390 g/mol |
| SMILES |
N(C1=C(C(=O)OC)C=CC=C1)C(=O)CSC1=NC(C)=CC(=N1)C |
![Benzoic acid, 2-[[[(4,6-dimethyl-2-pyrimidinyl)thio]acetyl]amino]-, methyl ester](/api/spectrum/7j7Qdaa2zfu/structure.png?h=300&w=458 "Benzoic acid, 2-[[[(4,6-dimethyl-2-pyrimidinyl)thio]acetyl]amino]-, methyl ester")
