![4-[1-[3-(cyanomethyl)-1-(ethylsulfonyl)-3-azetidinyl]-1H-pyrazol-4-yl]-7H-Pyrrolo[2,3-d]pyrimidine-7-carboxylic acid 1,1-dimethylethyl ester structure, CAS 2055723-13-0](/structures/210000/195417_2_2055723_13_0.png)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 2055723-13-0 |
| Catalog No. | 2A-1193811 |
| Chinese Name | 4-[1-[3-(cyanomethyl)-1-(ethylsulfonyl)-3-azetidinyl]-1H-pyrazol-4-yl]-7H-Pyrrolo[2,3-d]pyrimidine-7 |
| Molecular Formula | C21H25N7O4S |
| Molecular Weight | 471.53 |
| Density | 1.42±0.1 g/cm3(Predicted) |
| Boiling Point | 708.7±70.0 °C(Predicted) |
| PubChem ID | 374759069 |
| SMILES | CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ncnc4c3ccn4C(=O)OC(C)(C)C)cn2)C1 |
| InChI | InChI=1S/C21H25N7O4S/c1-5-33(30,31)26-12-21(13-26,7-8-22)28-11-15(10-25-28)17-16-6-9-27(18(16)24-14-23-17)19(29)32-20(2,3)4/h6,9-11,14H,5,7,12-13H2,1-4H3 |
| InChI Key | DSHUYPHBSXAOSA-UHFFFAOYSA-N |
| Transport Info | Product name: 4-(1-(3-(cyanomethyl)-1-(ethylsulfonyl)azetidin-3-yl)-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid tert-butyl ester |
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