| SpectraBase Compound ID | Kxl4it7pO2m |
|---|---|
| InChI | InChI=1S/C12H14N6OS/c1-19-8-4-2-7(3-5-8)17-12(20)18-9-10(13)15-6-16-11(9)14/h2-6H,1H3,(H2,17,18,20)(H4,13,14,15,16) |
| InChIKey | SQPPDYLNVOBOLK-UHFFFAOYSA-N |
| Mol Weight | 290.34 g/mol |
| Molecular Formula | C12H14N6OS |
| Exact Mass | 290.09498 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B6nVO9InFsz |
|---|---|
| Name | 1-(4,6-Diamino-pyrimidin-5-yl)-3-(4-methoxy-phenyl)-thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.094980268 u |
| Formula | C12H14N6OS |
| InChI | InChI=1S/C12H14N6OS/c1-19-8-4-2-7(3-5-8)17-12(20)18-9-10(13)15-6-16-11(9)14/h2-6H,1H3,(H2,17,18,20)(H4,13,14,15,16) |
| InChIKey | SQPPDYLNVOBOLK-UHFFFAOYSA-N |
| Molecular Weight | 290.345 g/mol |
| SMILES | Nc1ncnc(c1NC(Nc1ccc(cc1)OC)=S)N |