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| IUPAC Name: | 1-(6-amino-7H-purin-2-yl)-N-methylpyrazole-4-carboxamide |
| Description: | 1-(6-Amino-9H-purin-2-yl)-N-methyl-1H-pyrazole-4-carboxamide is used in the synthetic preparation of regadenoson and intermediates by using cyclocondensation, amidation and condensation as the key steps. |
| Molecular Weight: | 258.24 |
| Molecular Formula: | C10H10N8O |
| Canonical SMILES: | CNC(=O)C1=CN(N=C1)C2=NC(=C3C(=N2)N=CN3)N |
| InChI: | InChI=1S/C10H10N8O/c1-12-9(19)5-2-15-18(3-5)10-16-7(11)6-8(17-10)14-4-13-6/h2-4H,1H3,(H,12,19)(H3,11,13,14,16,17) |
| InChI Key: | BHWYSTZZDWSYQL-UHFFFAOYSA-N |
| Melting Point: | >300°C |
| Solubility: | DMSO (Slightly, Heated) |
| Appearance: | Off-White to Pale Yellow Solid |
| Storage: | -20°C, Hygroscopic |
| References: | Chai, J.; et al. Faming Zhuanli Shenqing. 14pp.Patent 2015 CODEN:CNXXEV. |
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