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CAS Number: 187725-00-4
ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate

Structure

ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
Name: ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
Synonyms:
General Information
Product Number: 187725004
CAS Registry Number: 187725-00-4
Name:
7H-​Pyrrolo[2,​3-​d]​pyrimidine-​6-​carboxylic acid, 4-​chloro-​, ethyl ester
1H-​Pyrrolo[2,​3-​d]​pyrimidine-​6-​carboxylic acid, 4-​chloro-​, ethyl ester (9CI); 4-​Chloro-​7H-​pyrrolo[2,​3-​d]​pyrimidine-​6-​carboxylic acid ethyl ester 
 
Chemical Formula: C9H8ClN3O2
Exact Mass: 225.03
Molecular Weight: 225.63
m/z: 225.03 (100.0%), 227.03 (32.5%), 226.03 (10.9%), 228.03 (3.2%)
Elemental Analysis: C, 47.91; H, 3.57; Cl, 15.71; N, 18.62; O, 14.18
 
InChI: InChI=1S/C9H8ClN3O2/c1-2-15-9(14)6-3-5-7(10)11-4-12-8(5)13-6/h3-4H,2H2,1H3,(H,11,12,13)
InChIKey: BMVGJDTURCUCNP-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CC2=C(N1)N=CN=C2Cl

Specification

98%

References

PCT Int. Appl. (2014), WO 2014048869 A1 20140403.                                  

PCT Int. Appl. (2014), WO 2014048894 A1 20140403.                                 

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