| SpectraBase Compound ID | AxxHJJx7B8V |
|---|---|
| InChI | InChI=1S/C8H10N4S/c1-3-13-8-6-7(9-4-10-8)11-5-12(6)2/h4-5H,3H2,1-2H3 |
| InChIKey | PFCKBOGJYJZUQH-UHFFFAOYSA-N |
| Mol Weight | 194.26 g/mol |
| Molecular Formula | C8H10N4S |
| Exact Mass | 194.062618 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GKmn7pjS2hm |
|---|---|
| Name | 6-Ethylthiopurine, me derivative (isomer 1) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.062617512 u |
| Formula | C8H10N4S |
| InChI | InChI=1S/C8H10N4S/c1-3-13-8-6-7(9-4-10-8)11-5-12(6)2/h4-5H,3H2,1-2H3 |
| InChIKey | PFCKBOGJYJZUQH-UHFFFAOYSA-N |
| Molecular Weight | 194.256 g/mol |
| SMILES | C(SC1=NC=NC2=C1N(C=N2)C)C |