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2-[(6-chloranylpurin-9-yl)methyl]-1-azabicyclo[2.2.2]octan-3-one

2-[(6-chloranylpurin-9-yl)methyl]-1-azabicyclo[2.2.2]octan-3-one

Systemtic Name:2-[(6-chloranylpurin-9-yl)methyl]-1-azabicyclo[2.2.2]octan-3-one
Openeye Name:2-[(6-chloropurin-9-yl)methyl]quinuclidin-3-one
CAS Name:2-[(6-chloro-9-purinyl)methyl]-1-azabicyclo[2.2.2]octan-3-one
IUPAC Name:2-[(6-chloropurin-9-yl)methyl]-1-azabicyclo[2.2.2]octan-3-one
Traditional Name:2-[(6-chloropurin-9-yl)methyl]quinuclidin-3-one
Formula: C13H14ClN5O
MolecularWeight: 291.73616
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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(=O)C2CN3C=NC4=C3N=CN=C4Cl


Isomeric SMILES

C1CN2CCC1C(=O)C2CN3C=NC4=C3N=CN=C4Cl


InChI

InChI=1S/C13H14ClN5O/c14-12-10-13(16-6-15-12)19(7-17-10)5-9-11(20)8-1-3-18(9)4-2-8/h6-9H,1-5H2


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