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CAS Number: 346599-63-1
4-chloro-1H-pyrrolo[2,3-d]pyrimidin-6(5H)-one

Structure

4-chloro-1H-pyrrolo[2,3-d]pyrimidin-6(5H)-one
Name: 4-chloro-1H-pyrrolo[2,3-d]pyrimidin-6(5H)-one
Synonyms:
General Information
Product Number: 346599631

CAS Registry Number 346599-63-1
Name:
6H-​Pyrrolo[2,​3-​d]​pyrimidin-​6-​one, 4-​chloro-​5,​7-​dihydro-
6H-Pyrrolo[2,3-d]pyrimidin-6-one, 4-chloro-1,5-dihydro- (9CI)
4-Chloro-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one
4-Chloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
4-Chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one

 

Chemical Formula: C6H4ClN3O
Exact Mass: 169.00
Molecular Weight: 169.57
m/z: 169.00 (100.0%), 171.00 (32.0%), 170.01 (6.6%), 172.00 (2.4%), 170.00 (1.1%)

 

InChI:InChI=1S/C6H4ClN3O/c7-5-3-1-4(11)10-6(3)9-2-8-5/h2H,1H2,(H,8,9,10,11)

InChI Key:PKKYYNMRPXEIFE-UHFFFAOYSA-N

Canonical SMILES:C1C2=C(NC1=O)N=CN=C2Cl

Specification

98%

References

PCT Int. Appl. (2013), WO 2013169563 A1 20131114.                                 

PCT Int. Appl. (2013), WO 2013066360 A1 20130510.                                 

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