| SpectraBase Spectrum ID |
7lSjgk5vZx3 |
| Name |
2-{[(1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-4-(methylsulfinyl)butanoic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.083806447 u |
| Formula |
C12H17N3O6S |
| InChI |
InChI=1S/C12H17N3O6S/c1-14-9(16)7(10(17)15(2)12(14)20)6-13-8(11(18)19)4-5-22(3)21/h6,8,13H,4-5H2,1-3H3,(H,18,19) |
| InChIKey |
YNKAVFKHRJTFFQ-UHFFFAOYSA-N |
| SMILES |
OC(C(NC=C1C(N(C(N(C)C1=O)=O)C)=O)CCS(=O)C)=O |
![2-{[(1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-4-(methylsulfinyl)butanoic acid](/api/spectrum/7lSjgk5vZx3/structure.png?h=300&w=458 "2-{[(1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-4-(methylsulfinyl)butanoic acid")
