(2E)-2-[(6-aminopurin-9-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one

Systemtic Name: (2E)-2-[(6-aminopurin-9-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one Openeye Name: (2E)-2-[(6-aminopurin-9-yl)methylene]quinuclidin-3-one CAS Name: (2E)-2-[(6-aminopurin-9-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one IUPAC Name: (2E)-2-[(6-aminopurin-9-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one Traditional Name: (2E)-2-(adenin-9-ylmethylene)quinuclidin-3-one Formula: C13H14N6O MolecularWeight: 270.28986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(=O)C2=CN3C=NC4=C3N=CN=C4N

Isomeric SMILES

C1CN\2CCC1C(=O)/C2=C\N3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C13H14N6O/c14-12-10-13(16-6-15-12)19(7-17-10)5-9-11(20)8-1-3-18(9)4-2-8/h5-8H,1-4H2,(H2,14,15,16)/b9-5+