[(2E)-2-[(2-azanyl-6-chloranyl-purin-9-yl)methylidene]-1-fluoranyl-cyclopropyl]methyl ethanoate

Systemtic Name: [(2E)-2-[(2-azanyl-6-chloranyl-purin-9-yl)methylidene]-1-fluoranyl-cyclopropyl]methyl ethanoate Openeye Name: [(2E)-2-[(2-amino-6-chloro-purin-9-yl)methylene]-1-fluoro-cyclopropyl]methyl acetate CAS Name: acetic acid [(2E)-2-[(2-amino-6-chloro-9-purinyl)methylidene]-1-fluorocyclopropyl]methyl ester IUPAC Name: [(2E)-2-[(2-amino-6-chloropurin-9-yl)methylidene]-1-fluorocyclopropyl]methyl acetate Traditional Name: acetic acid [(2E)-2-[(2-amino-6-chloro-purin-9-yl)methylene]-1-fluoro-cyclopropyl]methyl ester Formula: C12H11ClFN5O2 MolecularWeight: 311.699443

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1(CC1=CN2C=NC3=C2N=C(N=C3Cl)N)F

Isomeric SMILES

CC(=O)OCC\1(C/C1=C\N2C=NC3=C2N=C(N=C3Cl)N)F

InChI

InChI=1S/C12H11ClFN5O2/c1-6(20)21-4-12(14)2-7(12)3-19-5-16-8-9(13)17-11(15)18-10(8)19/h3,5H,2,4H2,1H3,(H2,15,17,18)/b7-3+