ethyl (E)-4-(6-aminopurin-9-yl)-2-fluoranyl-but-3-enoate

Systemtic Name: ethyl (E)-4-(6-aminopurin-9-yl)-2-fluoranyl-but-3-enoate Openeye Name: ethyl (E)-4-(6-aminopurin-9-yl)-2-fluoro-but-3-enoate CAS Name: (E)-4-(6-aminopurin-9-yl)-2-fluoro-3-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-(6-aminopurin-9-yl)-2-fluorobut-3-enoate Traditional Name: (E)-4-adenin-9-yl-2-fluoro-but-3-enoic acid ethyl ester Formula: C11H12FN5O2 MolecularWeight: 265.243683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=CN1C=NC2=C1N=CN=C2N)F

Isomeric SMILES

CCOC(=O)C(/C=C/N1C=NC2=C1N=CN=C2N)F

InChI

InChI=1S/C11H12FN5O2/c1-2-19-11(18)7(12)3-4-17-6-16-8-9(13)14-5-15-10(8)17/h3-7H,2H2,1H3,(H2,13,14,15)/b4-3+