[3-acetyloxy-5-[2,6-bis(bromanyl)purin-9-yl]-4-fluoranyl-oxolan-2-yl]methyl benzoate

Systemtic Name: [3-acetyloxy-5-[2,6-bis(bromanyl)purin-9-yl]-4-fluoranyl-oxolan-2-yl]methyl benzoate Openeye Name: [3-acetoxy-5-(2,6-dibromopurin-9-yl)-4-fluoro-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [3-acetyloxy-5-(2,6-dibromo-9-purinyl)-4-fluoro-2-oxolanyl]methyl ester IUPAC Name: [3-acetyloxy-5-(2,6-dibromopurin-9-yl)-4-fluorooxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [3-acetoxy-5-(2,6-dibromopurin-9-yl)-4-fluoro-tetrahydrofuran-2-yl]methyl ester Formula: C19H15Br2FN4O5 MolecularWeight: 558.152603

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(OC(C1F)N2C=NC3=C2N=C(N=C3Br)Br)COC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(=O)OC1C(OC(C1F)N2C=NC3=C2N=C(N=C3Br)Br)COC(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H15Br2FN4O5/c1-9(27)30-14-11(7-29-18(28)10-5-3-2-4-6-10)31-17(12(14)22)26-8-23-13-15(20)24-19(21)25-16(13)26/h2-6,8,11-12,14,17H,7H2,1H3