[(2R,3S,4S,5R)-4-acetyloxy-3-bromanyl-5-purin-9-yl-oxolan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,4S,5R)-4-acetyloxy-3-bromanyl-5-purin-9-yl-oxolan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,4S,5R)-4-acetoxy-3-bromo-5-purin-9-yl-tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,4S,5R)-4-acetyloxy-3-bromo-5-(9-purinyl)-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R)-4-acetyloxy-3-bromo-5-purin-9-yloxolan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,4S,5R)-4-acetoxy-3-bromo-5-purin-9-yl-tetrahydrofuran-2-yl]methyl ester Formula: C14H15BrN4O5 MolecularWeight: 399.1967

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(O1)N2C=NC3=CN=CN=C32)OC(=O)C)Br

Isomeric SMILES

CC(=O)OC[C@@H]1[C@@H]([C@H]([C@@H](O1)N2C=NC3=CN=CN=C32)OC(=O)C)Br

InChI

InChI=1S/C14H15BrN4O5/c1-7(20)22-4-10-11(15)12(23-8(2)21)14(24-10)19-6-18-9-3-16-5-17-13(9)19/h3,5-6,10-12,14H,4H2,1-2H3/t10-,11+,12-,14-/m1/s1