methyl (2E)-2-[(2-azanyl-6-methoxy-purin-9-yl)methylidene]-1-fluoranyl-cyclopropane-1-carboxylate

Systemtic Name: methyl (2E)-2-[(2-azanyl-6-methoxy-purin-9-yl)methylidene]-1-fluoranyl-cyclopropane-1-carboxylate Openeye Name: methyl (2E)-2-[(2-amino-6-methoxy-purin-9-yl)methylene]-1-fluoro-cyclopropanecarboxylate CAS Name: (2E)-2-[(2-amino-6-methoxy-9-purinyl)methylidene]-1-fluoro-1-cyclopropanecarboxylic acid methyl ester IUPAC Name: methyl (2E)-2-[(2-amino-6-methoxypurin-9-yl)methylidene]-1-fluorocyclopropane-1-carboxylate Traditional Name: (2E)-2-[(2-amino-6-methoxy-purin-9-yl)methylene]-1-fluoro-cyclopropanecarboxylic acid methyl ester Formula: C12H12FN5O3 MolecularWeight: 293.253783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC2=C1N=CN2C=C3CC3(C(=O)OC)F)N

Isomeric SMILES

COC1=NC(=NC2=C1N=CN2/C=C/3\CC3(C(=O)OC)F)N

InChI

InChI=1S/C12H12FN5O3/c1-20-9-7-8(16-11(14)17-9)18(5-15-7)4-6-3-12(6,13)10(19)21-2/h4-5H,3H2,1-2H3,(H2,14,16,17)/b6-4+