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

Systemtic Name: 2-(6-chloranylpurin-9-yl)-1-azabicyclo[2.2.2]octan-3-one Openeye Name: 2-(6-chloropurin-9-yl)quinuclidin-3-one CAS Name: 2-(6-chloro-9-purinyl)-1-azabicyclo[2.2.2]octan-3-one IUPAC Name: 2-(6-chloropurin-9-yl)-1-azabicyclo[2.2.2]octan-3-one Traditional Name: 2-(6-chloropurin-9-yl)quinuclidin-3-one Formula: C12H12ClN5O MolecularWeight: 277.70958

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(=O)C2N3C=NC4=C3N=CN=C4Cl

Isomeric SMILES

C1CN2CCC1C(=O)C2N3C=NC4=C3N=CN=C4Cl

InChI

InChI=1S/C12H12ClN5O/c13-10-8-11(15-5-14-10)18(6-16-8)12-9(19)7-1-3-17(12)4-2-7/h5-7,12H,1-4H2