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CAS Number: 271-70-5
1H-pyrrolo[2,3-d]pyrimidine

Structure

1H-pyrrolo[2,3-d]pyrimidine
Name: 1H-pyrrolo[2,3-d]pyrimidine
Synonyms:
General Information
Product Number: 271705
CAS Registry Number: 271-70-5
Name:
        7H-​Pyrrolo[2,​3-​d]​pyrimidine
        1H-​Pyrrolo[2,​3-​d]​pyrimidine (8CI,​9CI); 3H-​Pyrrolo[2,​3-​d]​pyrimidine; 7-​Deazapurine; NSC 94210 
        Ring Parent 
        Deleted CAS Registry Numbers: 3614-​95-​7
 
Chemical Formula: C6H5N3
Exact Mass: 119.05
Molecular Weight: 119.12
m/z: 119.05 (100.0%), 120.05 (7.7%)
Elemental Analysis: C, 60.50; H, 4.23; N, 35.27
 
InChI: InChI=1S/C6H5N3/c1-2-8-6-5(1)3-7-4-9-6/h1-4H,(H,7,8,9)
InChIKey: JJTNLWSCFYERCK-UHFFFAOYSA-N
Canonical SMILES : C1=CNC2=NC=NC=C21
 
Thermal Properties Value Condition Note
Melting Point 133 °C   (3)CAS

Specification

98%

References
(1) Suzuki, Saburo; Journal of Antibiotics, Series A 1961, V13;14(Ser. A), P360;34-8 CAPLUS
(2) Patro, Jennifer N.; Biochemistry 2009, V48(34), P8271-8278 CAPLUS
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