![2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-(4H-1,2,4-triazol-4-yl)acetamide](/api/spectrum/AFUUoSBUz6b/structure.png?h=300&w=458 "2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-(4H-1,2,4-triazol-4-yl)acetamide")
| SpectraBase Compound ID | 7wXByT1qr2N |
|---|---|
| InChI | InChI=1S/C10H12N6OS/c1-7-3-8(2)14-10(13-7)18-4-9(17)15-16-5-11-12-6-16/h3,5-6H,4H2,1-2H3,(H,15,17) |
| InChIKey | XICMUUXCDJDZLA-UHFFFAOYSA-N |
| Mol Weight | 264.31 g/mol |
| Molecular Formula | C10H12N6OS |
| Exact Mass | 264.07933 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AFUUoSBUz6b |
|---|---|
| Name | 2-[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]-N-(4H-1,2,4-triazol-4-yl)acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.079330203 u |
| Formula | C10H12N6OS |
| InChI | InChI=1S/C10H12N6OS/c1-7-3-8(2)14-10(13-7)18-4-9(17)15-16-5-11-12-6-16/h3,5-6H,4H2,1-2H3,(H,15,17) |
| InChIKey | XICMUUXCDJDZLA-UHFFFAOYSA-N |
| Molecular Weight | 264.307 g/mol |
| SMILES | N(C(=O)CSC1=NC(C)=CC(=N1)C)N1C=NN=C1 |