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CAS Number: 1001397-19-8
5H-pyrrolo[2,3-d]pyrimidine

Structure

 5H-pyrrolo[2,3-d]pyrimidine
Name: 5H-pyrrolo[2,3-d]pyrimidine
Synonyms:
General Information
Product Number: 1001397198

CAS Registry Number 1001397-19-8
Name:
5H-?Pyrrolo[2,?3-?d]?pyrimidine, 4-?chloro-?7-?[2-?fluoro-?4-?(methylsulfonyl)?phenyl]?-?6,?7-?dihydro-
4-Chloro-7-[2-fluoro-4-(methylsulfonyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine

 

Chemical Formula: C6H5N3
Exact Mass: 119.05
Molecular Weight: 119.12
m/z: 119.05 (100.0%), 120.05 (7.7%)

 

InChI:InChI=1S/C13H11ClFN3O2S/c1-21(19,20)8-2-3-11(10(15)6-8)18-5-4-9-12(14)16-7-17-13(9)18/h2-3,6-7H,4-5H2,1H3

InChI Key:FHFINPVOGJKNOK-UHFFFAOYSA-N

Canonical SMILES:CS(=O)(=O)C1=CC(=C(C=C1)N2CCC3=C2N=CN=C3Cl)F

 

Thermal Properties Value Condition Note
Melting Point 165-167 °C   (1)CAS

Specification

98%
References
  1. (1) Boros, Eric E.; Journal of Organic Chemistry 2009, V74(9), P3587-3590 CAPLUS
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