| SpectraBase Compound ID | 4CwkdfA8t7G |
|---|---|
| InChI | InChI=1S/C10H9N5S/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15) |
| InChIKey | JYIRPMVEWLTUGX-UHFFFAOYSA-N |
| Mol Weight | 231.28 g/mol |
| Molecular Formula | C10H9N5S |
| Exact Mass | 231.057866 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IxtnhvkbOLH |
|---|---|
| Name | N-(2-Thienylmethyl)-7H-purin-6-amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.057866484 u |
| Formula | C10H9N5S |
| InChI | InChI=1S/C10H9N5S/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15) |
| InChIKey | JYIRPMVEWLTUGX-UHFFFAOYSA-N |
| Molecular Weight | 231.277 g/mol |
| SMILES | C=1(SC=CC1)CNC1=NC=NC2=C1NC=N2 |