| SpectraBase Spectrum ID |
H9iW4wS8ajQ |
| Name |
Benzoic acid, 2-[[[[(4-ethoxy-6-fluoro-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.069633550 u |
| Formula |
C15H15FN4O6S |
| InChI |
InChI=1S/C15H15FN4O6S/c1-3-26-12-8-11(16)17-14(18-12)19-15(22)20-27(23,24)10-7-5-4-6-9(10)13(21)25-2/h4-8H,3H2,1-2H3,(H2,17,18,19,20,22) |
| InChIKey |
GRTCICRJEVXTNN-UHFFFAOYSA-N |
| Molecular Weight |
398.365 g/mol |
| SMILES |
N(S(C=1C(=CC=CC1)C(OC)=O)(=O)=O)C(NC=1N=C(C=C(N1)F)OCC)=O |
![Benzoic acid, 2-[[[[(4-ethoxy-6-fluoro-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-, methyl ester](/api/spectrum/H9iW4wS8ajQ/structure.png?h=300&w=458 "Benzoic acid, 2-[[[[(4-ethoxy-6-fluoro-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-, methyl ester")
