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CAS Number: 1065114-27-3
tert-butyl 2,4-dichloro-8,9-dihydro-5H-pyrimido[4,5-d]azepine-7(6H)-carboxylate

Structure

 tert-butyl 2,4-dichloro-8,9-dihydro-5H-pyrimido[4,5-d]azepine-7(6H)-carboxylate
Name: tert-butyl 2,4-dichloro-8,9-dihydro-5H-pyrimido[4,5-d]azepine-7(6H)-carboxylate
Synonyms:
General Information
Product Number: 1065114273

CAS Registry Number 1065114-27-3
Name:
7H-?Pyrimido[4,?5-?d]?azepine-?7-?carboxylic acid, 2,?4-?dichloro-?5,?6,?8,?9-?tetrahydro-?, 1,?1-?dimethylethyl ester

 

Chemical Formula: C13H17Cl2N3O2
Exact Mass: 317.07
Molecular Weight: 318.20
m/z: 317.07 (100.0%), 319.07 (64.5%), 318.07 (15.2%), 321.06 (10.2%), 320.07 (9.2%), 322.07 (1.5%)

 

InChI:InChI=1S/C13H17Cl2N3O2/c1-13(2,3)20-12(19)18-6-4-8-9(5-7-18)16-11(15)17-10(8)14/h4-7H2,1-3H3

InChI Key:HNTXDMDMFRAXNR-UHFFFAOYSA-N

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

Specification

98%
References

PCT Int. Appl. (2008), WO 2008117169 A1 20081002.                                 
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