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

Systemtic Name: [5-(6-chloranylpurin-9-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methyl benzoate Openeye Name: [5-(6-chloropurin-9-yl)-4-fluoro-3-hydroxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [5-(6-chloro-9-purinyl)-4-fluoro-3-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(6-chloropurin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [5-(6-chloropurin-9-yl)-4-fluoro-3-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C17H14ClFN4O4 MolecularWeight: 392.768863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4Cl)F)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4Cl)F)O

InChI

InChI=1S/C17H14ClFN4O4/c18-14-12-15(21-7-20-14)23(8-22-12)16-11(19)13(24)10(27-16)6-26-17(25)9-4-2-1-3-5-9/h1-5,7-8,10-11,13,16,24H,6H2