[2-azanyl-9-[3-fluoranyl-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl] ethanoate

Systemtic Name: [2-azanyl-9-[3-fluoranyl-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl] ethanoate Openeye Name: [2-amino-9-[3-fluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl] acetate CAS Name: acetic acid [2-amino-9-[3-fluoro-5-(hydroxymethyl)-2-oxolanyl]-6-purinyl] ester IUPAC Name: [2-amino-9-[3-fluoro-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl] acetate Traditional Name: acetic acid [2-amino-9-(3-fluoro-5-methylol-tetrahydrofuran-2-yl)purin-6-yl] ester Formula: C12H14FN5O4 MolecularWeight: 311.269063

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=NC(=NC2=C1N=CN2C3C(CC(O3)CO)F)N

Isomeric SMILES

CC(=O)OC1=NC(=NC2=C1N=CN2C3C(CC(O3)CO)F)N

InChI

InChI=1S/C12H14FN5O4/c1-5(20)21-10-8-9(16-12(14)17-10)18(4-15-8)11-7(13)2-6(3-19)22-11/h4,6-7,11,19H,2-3H2,1H3,(H2,14,16,17)