| SpectraBase Compound ID | 1pWeHfbGtEa |
|---|---|
| InChI | InChI=1S/C8H12ClN3S/c1-5(2)10-7-4-6(9)11-8(12-7)13-3/h4-5H,1-3H3,(H,10,11,12) |
| InChIKey | UFIHRHMWSNBGPR-UHFFFAOYSA-N |
| Mol Weight | 217.72 g/mol |
| Molecular Formula | C8H12ClN3S |
| Exact Mass | 217.044046 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IE5NYqFPyfQ |
|---|---|
| Name | 4-Chloro-6-isopropylamino-2-methylthiopyrimidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.044046272 u |
| Formula | C8H12ClN3S |
| InChI | InChI=1S/C8H12ClN3S/c1-5(2)10-7-4-6(9)11-8(12-7)13-3/h4-5H,1-3H3,(H,10,11,12) |
| InChIKey | UFIHRHMWSNBGPR-UHFFFAOYSA-N |
| SMILES | CSC1=NC(=CC(=N1)NC(C)C)Cl |