![trans-(+\-)-2,4-dioxo-N-{1-(hydroxymethyl)-2-{[(methylthio)methyl]thio}ethyl}-6-methyl-1,2,3,4-tetrahydro-5-pyrimidineacrylamide](/api/spectrum/9HYF46ZsrKk/structure.png?h=300&w=458 "trans-(+\-)-2,4-dioxo-N-{1-(hydroxymethyl)-2-{[(methylthio)methyl]thio}ethyl}-6-methyl-1,2,3,4-tetrahydro-5-pyrimidineacrylamide")
| SpectraBase Compound ID | z5mVLfpuFb |
|---|---|
| InChI | InChI=1S/C13H19N3O4S2/c1-8-10(12(19)16-13(20)14-8)3-4-11(18)15-9(5-17)6-22-7-21-2/h3-4,9,17H,5-7H2,1-2H3,(H,15,18)(H2,14,16,19,20)/b4-3+ |
| InChIKey | LJFIHLCSTKGOGE-ONEGZZNKSA-N |
| Mol Weight | 345.43 g/mol |
| Molecular Formula | C13H19N3O4S2 |
| Exact Mass | 345.081698 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9HYF46ZsrKk |
|---|---|
| Name | trans-(+\-)-2,4-dioxo-N-{1-(hydroxymethyl)-2-{[(methylthio)methyl]thio}ethyl}-6-methyl-1,2,3,4-tetrahydro-5-pyrimidineacrylamide |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H19N3O4S2 |
| InChI | InChI=1S/C13H19N3O4S2/c1-8-10(12(19)16-13(20)14-8)3-4-11(18)15-9(5-17)6-22-7-21-2/h3-4,9,17H,5-7H2,1-2H3,(H,15,18)(H2,14,16,19,20)/b4-3+ |
| InChIKey | LJFIHLCSTKGOGE-ONEGZZNKSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 28792M |
| Solvent | Polysol |