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CAS Number: 22276-97-7
5-bromo-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one

Structure

 5-bromo-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
Name: 5-bromo-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
Synonyms:
General Information
Product Number: 22276977

CAS Registry Number 22276-97-7
Name:
4H-?Pyrrolo[2,?3-?d]?pyrimidin-?4-?one, 5-?bromo-?3,?7-?dihydro-
5-Bromo-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
NSC 124163

 

Chemical Formula: C6H4BrN3O
Exact Mass: 212.95
Molecular Weight: 214.02
m/z: 212.95 (100.0%), 214.95 (97.4%), 213.96 (6.6%), 215.96 (6.4%), 213.95 (1.1%), 215.95 (1.1%)

 

InChI:InChI=1S/C6H4BrN3O/c7-3-1-8-5-4(3)6(11)10-2-9-5/h1-2H,(H2,8,9,10,11)

InChI Key:XJUAXRSIRZNYBE-UHFFFAOYSA-N

Canonical SMILES:C1=C(C2=C(N1)NC=NC2=O)Br

Specification

98%
References

PCT Int. Appl. (2017), WO 2017100591 A1 20170615.
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