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CAS Number: 90559-98-1
ethyl 7-amino-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Structure

ethyl 7-amino-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Name: ethyl 7-amino-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Synonyms:
General Information
Product Number: 90559981
CAS Registry Number: 90559-98-1
Name:
[1,​2,​4]​Triazolo[1,​5-​a]​pyrimidine-​6-​carboxylic acid, 7-​amino-​2-​(methylthio)​-​, ethyl ester
s-​Triazolo[1,​5-​a]​pyrimidine-​6-​carboxylic acid, 7-​amino-​2-​(methylthio)​-​, ethyl ester (7CI) 
 
Chemical Formula: C9H11N5O2S
Exact Mass: 253.06
Molecular Weight: 253.28
m/z: 253.06 (100.0%), 254.07 (9.9%), 255.06 (4.7%), 254.06 (2.6%)
Elemental Analysis: C, 42.68; H, 4.38; N, 27.65; O, 12.63; S, 12.66
 
InChI: InChI=1S/C9H11N5O2S/c1-3-16-7(15)5-4-11-8-12-9(17-2)13-14(8)6(5)10/h4H,3,10H2,1-2H3
InChIKey: GULODKWZYHQFFL-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C(N2C(=NC(=N2)SC)N=C1)N

Specification

98%

References

PCT Int. Appl. (2004), WO 2004005323 A2 20040115. 

Journal of Heterocyclic Chemistry (1987), 24(4), 1149-54.                                 

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