[5-(6-azanyl-2-fluoranyl-purin-9-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methyl benzoate

Systemtic Name: [5-(6-azanyl-2-fluoranyl-purin-9-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methyl benzoate Openeye Name: [5-(6-amino-2-fluoro-purin-9-yl)-4-fluoro-3-hydroxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [5-(6-amino-2-fluoro-9-purinyl)-4-fluoro-3-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(6-amino-2-fluoropurin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [5-(6-amino-2-fluoro-purin-9-yl)-4-fluoro-3-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C17H15F2N5O4 MolecularWeight: 391.328906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=NC4=C3N=C(N=C4N)F)F)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=NC4=C3N=C(N=C4N)F)F)O

InChI

InChI=1S/C17H15F2N5O4/c18-10-12(25)9(6-27-16(26)8-4-2-1-3-5-8)28-15(10)24-7-21-11-13(20)22-17(19)23-14(11)24/h1-5,7,9-10,12,15,25H,6H2,(H2,20,22,23)