[(2S,5S)-5-(6-chloranylpurin-9-yl)-3,3-bis(fluoranyl)oxolan-2-yl]methyl benzoate

Systemtic Name: [(2S,5S)-5-(6-chloranylpurin-9-yl)-3,3-bis(fluoranyl)oxolan-2-yl]methyl benzoate Openeye Name: [(2S,5S)-5-(6-chloropurin-9-yl)-3,3-difluoro-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2S,5S)-5-(6-chloro-9-purinyl)-3,3-difluoro-2-oxolanyl]methyl ester IUPAC Name: [(2S,5S)-5-(6-chloropurin-9-yl)-3,3-difluorooxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S,5S)-5-(6-chloropurin-9-yl)-3,3-difluoro-tetrahydrofuran-2-yl]methyl ester Formula: C17H13ClF2N4O3 MolecularWeight: 394.759926

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(C1(F)F)COC(=O)C2=CC=CC=C2)N3C=NC4=C3N=CN=C4Cl

Isomeric SMILES

C1[C@H](O[C@H](C1(F)F)COC(=O)C2=CC=CC=C2)N3C=NC4=C3N=CN=C4Cl

InChI

InChI=1S/C17H13ClF2N4O3/c18-14-13-15(22-8-21-14)24(9-23-13)12-6-17(19,20)11(27-12)7-26-16(25)10-4-2-1-3-5-10/h1-5,8-9,11-12H,6-7H2/t11-,12-/m0/s1