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

Systemtic Name: [5-(2-azanyl-6-chloranyl-purin-9-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methyl benzoate Openeye Name: [5-(2-amino-6-chloro-purin-9-yl)-4-fluoro-3-hydroxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [5-(2-amino-6-chloro-9-purinyl)-4-fluoro-3-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(2-amino-6-chloropurin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [5-(2-amino-6-chloro-purin-9-yl)-4-fluoro-3-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C17H15ClFN5O4 MolecularWeight: 407.783503

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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=C4Cl)N)F)O

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClFN5O4/c18-13-11-14(23-17(20)22-13)24(7-21-11)15-10(19)12(25)9(28-15)6-27-16(26)8-4-2-1-3-5-8/h1-5,7,9-10,12,15,25H,6H2,(H2,20,22,23)