[(2R,3R,4S)-3-acetyloxy-2-(6-chloranylpurin-9-yl)oxan-4-yl] ethanoate

Systemtic Name: [(2R,3R,4S)-3-acetyloxy-2-(6-chloranylpurin-9-yl)oxan-4-yl] ethanoate Openeye Name: [(2R,3R,4S)-3-acetoxy-2-(6-chloropurin-9-yl)tetrahydropyran-4-yl] acetate CAS Name: acetic acid [(2R,3R,4S)-3-acetyloxy-2-(6-chloro-9-purinyl)-4-oxanyl] ester IUPAC Name: [(2R,3R,4S)-3-acetyloxy-2-(6-chloropurin-9-yl)oxan-4-yl] acetate Traditional Name: acetic acid [(2R,3R,4S)-3-acetoxy-2-(6-chloropurin-9-yl)tetrahydropyran-4-yl] ester Formula: C14H15ClN4O5 MolecularWeight: 354.7457

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCOC(C1OC(=O)C)N2C=NC3=C2N=CN=C3Cl

Isomeric SMILES

CC(=O)O[C@H]1CCO[C@H]([C@@H]1OC(=O)C)N2C=NC3=C2N=CN=C3Cl

InChI

InChI=1S/C14H15ClN4O5/c1-7(20)23-9-3-4-22-14(11(9)24-8(2)21)19-6-18-10-12(15)16-5-17-13(10)19/h5-6,9,11,14H,3-4H2,1-2H3/t9-,11+,14+/m0/s1