| SpectraBase Compound ID | C4wnMPxC7LH |
|---|---|
| InChI | InChI=1S/C12H13N3O2S/c1-17-9-4-2-8(3-5-9)7-18-12-14-10(13)6-11(16)15-12/h2-6H,7H2,1H3,(H3,13,14,15,16) |
| InChIKey | LNIDSBAQPOYYHJ-UHFFFAOYSA-N |
| Mol Weight | 263.31 g/mol |
| Molecular Formula | C12H13N3O2S |
| Exact Mass | 263.072848 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3BetO429JGd |
|---|---|
| Name | 6-Amino-2-(4-methoxy-benzylsulfanyl)-pyrimidin-4-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.072847843 u |
| Formula | C12H13N3O2S |
| InChI | InChI=1S/C12H13N3O2S/c1-17-9-4-2-8(3-5-9)7-18-12-14-10(13)6-11(16)15-12/h2-6H,7H2,1H3,(H3,13,14,15,16) |
| InChIKey | LNIDSBAQPOYYHJ-UHFFFAOYSA-N |
| Molecular Weight | 263.315 g/mol |
| SMILES | COC=1C=CC(=CC1)CSC1=NC(O)=CC(=N1)N |