[(2R,3S,5R)-3-acetyloxy-5-(6-bromanylpurin-9-yl)oxolan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,5R)-3-acetyloxy-5-(6-bromanylpurin-9-yl)oxolan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,5R)-3-acetoxy-5-(6-bromopurin-9-yl)tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,5R)-3-acetyloxy-5-(6-bromo-9-purinyl)-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,5R)-3-acetyloxy-5-(6-bromopurin-9-yl)oxolan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,5R)-3-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)OCC1C(CC(O1)N2C=NC3=C2N=CN=C3Br)OC(=O)C

Isomeric SMILES

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

InChI

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