![isopropyl 3-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoate](/api/spectrum/ALPS8okO4CF/structure.png?h=300&w=458 "isopropyl 3-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoate")
| SpectraBase Compound ID | C8OGfPbTubT |
|---|---|
| InChI | InChI=1S/C10H15N3O3S/c1-6(2)16-9(15)3-4-17-10-12-7(11)5-8(14)13-10/h5-6H,3-4H2,1-2H3,(H3,11,12,13,14) |
| InChIKey | YQHDXIAVKRWQNV-UHFFFAOYSA-N |
| Mol Weight | 257.31 g/mol |
| Molecular Formula | C10H15N3O3S |
| Exact Mass | 257.083413 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ALPS8okO4CF |
|---|---|
| Name | Isopropyl 3-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.083412526 u |
| Formula | C10H15N3O3S |
| InChI | InChI=1S/C10H15N3O3S/c1-6(2)16-9(15)3-4-17-10-12-7(11)5-8(14)13-10/h5-6H,3-4H2,1-2H3,(H3,11,12,13,14) |
| InChIKey | YQHDXIAVKRWQNV-UHFFFAOYSA-N |
| SMILES | C1(=O)C=C(N)N=C(SCCC(=O)OC(C)C)N1 |