ethyl (2Z)-2-[(6-aminopurin-9-yl)methylidene]-1-fluoranyl-cyclopropane-1-carboxylate

Systemtic Name: ethyl (2Z)-2-[(6-aminopurin-9-yl)methylidene]-1-fluoranyl-cyclopropane-1-carboxylate Openeye Name: ethyl (2Z)-2-[(6-aminopurin-9-yl)methylene]-1-fluoro-cyclopropanecarboxylate CAS Name: (2Z)-2-[(6-aminopurin-9-yl)methylidene]-1-fluoro-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl (2Z)-2-[(6-aminopurin-9-yl)methylidene]-1-fluorocyclopropane-1-carboxylate Traditional Name: (2Z)-2-(adenin-9-ylmethylene)-1-fluoro-cyclopropanecarboxylic acid ethyl ester Formula: C12H12FN5O2 MolecularWeight: 277.254383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC1=CN2C=NC3=C2N=CN=C3N)F

Isomeric SMILES

CCOC(=O)C\1(C/C1=C/N2C=NC3=C2N=CN=C3N)F

InChI

InChI=1S/C12H12FN5O2/c1-2-20-11(19)12(13)3-7(12)4-18-6-17-8-9(14)15-5-16-10(8)18/h4-6H,2-3H2,1H3,(H2,14,15,16)/b7-4-