[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(6-ethenylpurin-9-yl)oxolan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(6-ethenylpurin-9-yl)oxolan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4R,5R)-3,4-diacetoxy-5-(6-vinylpurin-9-yl)tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(6-ethenyl-9-purinyl)-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(6-ethenylpurin-9-yl)oxolan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4R,5R)-3,4-diacetoxy-5-(6-vinylpurin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C18H20N4O7 MolecularWeight: 404.374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O7/c1-5-12-14-17(20-7-19-12)22(8-21-14)18-16(28-11(4)25)15(27-10(3)24)13(29-18)6-26-9(2)23/h5,7-8,13,15-16,18H,1,6H2,2-4H3/t13-,15-,16-,18-/m1/s1