| SpectraBase Spectrum ID |
5wD5eR2Qw8O |
| Name |
Benzoic acid, 2-[[[[[4-(1H-imidazol-1-yl)-6-methoxy-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 |
432.085203427 u |
| Formula |
C17H16N6O6S |
| InChI |
InChI=1S/C17H16N6O6S/c1-28-14-9-13(23-8-7-18-10-23)19-16(20-14)21-17(25)22-30(26,27)12-6-4-3-5-11(12)15(24)29-2/h3-10H,1-2H3,(H2,19,20,21,22,25) |
| InChIKey |
IKXZYHBACXDRJA-UHFFFAOYSA-N |
| Molecular Weight |
432.411 g/mol |
| SMILES |
N(S(C1=C(C=CC=C1)C(OC)=O)(=O)=O)C(NC1=NC(=CC(=N1)OC)N1C=NC=C1)=O |
![Benzoic acid, 2-[[[[[4-(1H-imidazol-1-yl)-6-methoxy-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, methyl ester](/api/spectrum/5wD5eR2Qw8O/structure.png?h=300&w=458 "Benzoic acid, 2-[[[[[4-(1H-imidazol-1-yl)-6-methoxy-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, methyl ester")
