[(2S,4R,5R)-4-acetyloxy-5-(6-bromanylpurin-9-yl)oxolan-2-yl]methyl ethanoate

Systemtic Name: [(2S,4R,5R)-4-acetyloxy-5-(6-bromanylpurin-9-yl)oxolan-2-yl]methyl ethanoate Openeye Name: [(2S,4R,5R)-4-acetoxy-5-(6-bromopurin-9-yl)tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [(2S,4R,5R)-4-acetyloxy-5-(6-bromo-9-purinyl)-2-oxolanyl]methyl ester IUPAC Name: [(2S,4R,5R)-4-acetyloxy-5-(6-bromopurin-9-yl)oxolan-2-yl]methyl acetate Traditional Name: acetic acid [(2S,4R,5R)-4-acetoxy-5-(6-bromopurin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C14H15BrN4O5 MolecularWeight: 399.1967

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1CC(C(O1)N2C=NC3=C2N=CN=C3Br)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1C[C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3Br)OC(=O)C

InChI

InChI=1S/C14H15BrN4O5/c1-7(20)22-4-9-3-10(23-8(2)21)14(24-9)19-6-18-11-12(15)16-5-17-13(11)19/h5-6,9-10,14H,3-4H2,1-2H3/t9-,10+,14+/m0/s1