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CAS Number: 16019-34-4
7-benzyl-4-chloro-7H-pyrrolo[2,3-d]pyrimidine

Structure

7-benzyl-4-chloro-7H-pyrrolo[2,3-d]pyrimidine
Name: 7-benzyl-4-chloro-7H-pyrrolo[2,3-d]pyrimidine
Synonyms:
General Information
Product Number: 16019344

CAS Registry Number 16019-34-4
Name:
7H-​Pyrrolo[2,​3-​d]​pyrimidine, 4-​chloro-​7-​(phenylmethyl)​-
7H-Pyrrolo[2,3-d]pyrimidine, 7-benzyl-4-chloro- (8CI)

 

Chemical Formula: C13H10ClN3
Exact Mass: 243.06
Molecular Weight: 243.69
m/z: 243.06 (100.0%), 245.05 (32.0%), 244.06 (14.2%), 246.06 (4.5%), 244.05 (1.1%), 245.06 (1.1%)

 

InChI:InChI=1S/C13H10ClN3/c14-12-11-6-7-17(13(11)16-9-15-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2

InChI Key:KMWWCJXJJNHTQL-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C(C=C1)CN2C=CC3=C2N=CN=C3Cl

Specification

98%

References

PCT Int. Appl. (1999), WO 9965908 A1 19991223. 

RSC Advances (2014), 4(107), 62140-62143. 

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