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CAS Number: 46001-09-6
6,7,8,9-tetrahydro-1H-pyrimido[4,5-d]azepin-4(5H)-one

Structure

 6,7,8,9-tetrahydro-1H-pyrimido[4,5-d]azepin-4(5H)-one
Name: 6,7,8,9-tetrahydro-1H-pyrimido[4,5-d]azepin-4(5H)-one
Synonyms:
General Information
Product Number: 46001096

CAS Registry Number 46001-09-6
Name:
4H-?Pyrimido[4,?5-?d]?azepin-?4-?one, 3,?5,?6,?7,?8,?9-?hexahydro-
4H-Pyrimido[4,5-d]azepin-4-one, 1,5,6,8,7,9-hexahydro- (9CI)
3,5,6,7,8,9-Hexahydro-4H-pyrimido[4,5-d]azepin-4-one

 

Chemical Formula: C8H11N3O
Exact Mass: 165.09
Molecular Weight: 165.19
m/z: 165.09 (100.0%), 166.09 (9.8%)

 

InChI:InChI=1S/C8H11N3O/c12-8-6-1-3-9-4-2-7(6)10-5-11-8/h5,9H,1-4H2,(H,10,11,12)

InChI Key:IQNFPZIIHKFPMG-UHFFFAOYSA-N

Canonical SMILES:C1CNCCC2=C1C(=O)N=CN2

Specification

98%
References

Bioorganic & Medicinal Chemistry Letters (2010), 20(23), 7137-7141. 
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