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CAS Number: 557770-91-9
2-(5-((7-(3-chloropropoxy)quinazolin-4-yl)amino)-1H-pyrazol-3-yl)acetic acid

Structure

 2-(5-((7-(3-chloropropoxy)quinazolin-4-yl)amino)-1H-pyrazol-3-yl)acetic acid
Name: 2-(5-((7-(3-chloropropoxy)quinazolin-4-yl)amino)-1H-pyrazol-3-yl)acetic acid
Synonyms:
General Information
Product Number: 557770919

CAS Registry Number 557770-91-9
Name:
1H-?Pyrazole-?3-?acetic acid, 5-?[[7-?(3-?chloropropoxy)?-?4-?quinazolinyl]?amino]?-
[5-[7-(3-Chloropropoxy)quinazolin-4-ylamino]pyrazol-3-yl]acetic acid
[5-[[7-[3-Chloropropoxy]quinazolin-4-yl]amino]-1H-pyrazol-3-yl]acetic acid

 

Chemical Formula: C16H16ClN5O3
Exact Mass: 361.09
Molecular Weight: 361.78
m/z: 361.09 (100.0%), 363.09 (32.3%), 362.10 (17.6%), 364.09 (6.1%), 363.10 (2.1%), 362.09 (1.8%)

 

InChI:InChI=1S/C16H16ClN5O3/c17-4-1-5-25-11-2-3-12-13(8-11)18-9-19-16(12)20-14-6-10(21-22-14)7-15(23)24/h2-3,6,8-9H,1,4-5,7H2,(H,23,24)(H2,18,19,20,21,22)

InChI Key:HEDQWHFFFGTORJ-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=C1OCCCCl)N=CN=C2NC3=NNC(=C3)CC(=O)O

Specification

98%
References
  1. (1) Heron, Nicola Murdoch; WO 2004058781 A1 2004 CAPLUS
  2. (2) Mortlock, Andrew A.; Journal of Medicinal Chemistry 2007, V50(9), P2213-2224 CAPLUS
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