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CAS Number: 1057338-27-8
tert-butyl 4-chloro-8,9-dihydro-5H-pyrimido[4,5-d]azepine-7(6H)-carboxylate

Structure

 tert-butyl 4-chloro-8,9-dihydro-5H-pyrimido[4,5-d]azepine-7(6H)-carboxylate
Name: tert-butyl 4-chloro-8,9-dihydro-5H-pyrimido[4,5-d]azepine-7(6H)-carboxylate
Synonyms:
General Information
Product Number: 1057338278

CAS Registry Number 1057338-27-8
Name:
7H-?Pyrimido[4,?5-?d]?azepine-?7-?carboxylic acid, 4-?chloro-?5,?6,?8,?9-?tetrahydro-?, 1,?1-?dimethylethyl ester

 

Chemical Formula: C13H18ClN3O2
Exact Mass: 283.11
Molecular Weight: 283.75
m/z: 283.11 (100.0%), 285.11 (32.5%), 284.11 (15.2%), 286.11 (4.6%)

 

InChI:InChI=1S/C13H18ClN3O2/c1-13(2,3)19-12(18)17-6-4-9-10(5-7-17)15-8-16-11(9)14/h8H,4-7H2,1-3H3

InChI Key:OWQQLMMARYLDAW-UHFFFAOYSA-N

Canonical SMILES:CC(C)(C)OC(=O)N1CCC2=C(CC1)N=CN=C2Cl

Specification

98%
References

PCT Int. Appl. (2010), WO 2010066684 A2 20100617. 
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