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

Systemtic Name: (2E)-2-[(6-methoxypurin-9-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one Openeye Name: (2E)-2-[(6-methoxypurin-9-yl)methylene]quinuclidin-3-one CAS Name: (2E)-2-[(6-methoxy-9-purinyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one IUPAC Name: (2E)-2-[(6-methoxypurin-9-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one Traditional Name: (2E)-2-[(6-methoxypurin-9-yl)methylene]quinuclidin-3-one Formula: C14H15N5O2 MolecularWeight: 285.3012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=NC2=C1N=CN2C=C3C(=O)C4CCN3CC4

Isomeric SMILES

COC1=NC=NC2=C1N=CN2/C=C/3\C(=O)C4CCN3CC4

InChI

InChI=1S/C14H15N5O2/c1-21-14-11-13(15-7-16-14)19(8-17-11)6-10-12(20)9-2-4-18(10)5-3-9/h6-9H,2-5H2,1H3/b10-6+