[3,4-diacetyloxy-5-(6-chloranyl-2-non-1-ynyl-purin-9-yl)oxolan-2-yl]methyl ethanoate

Systemtic Name: [3,4-diacetyloxy-5-(6-chloranyl-2-non-1-ynyl-purin-9-yl)oxolan-2-yl]methyl ethanoate Openeye Name: [3,4-diacetoxy-5-(6-chloro-2-non-1-ynyl-purin-9-yl)tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [3,4-diacetyloxy-5-(6-chloro-2-non-1-ynyl-9-purinyl)-2-oxolanyl]methyl ester IUPAC Name: [3,4-diacetyloxy-5-(6-chloro-2-non-1-ynylpurin-9-yl)oxolan-2-yl]methyl acetate Traditional Name: acetic acid [3,4-diacetoxy-5-(6-chloro-2-non-1-ynyl-purin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C25H31ClN4O7 MolecularWeight: 534.98924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC#CC1=NC2=C(C(=N1)Cl)N=CN2C3C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCCCC#CC1=NC2=C(C(=N1)Cl)N=CN2C3C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C25H31ClN4O7/c1-5-6-7-8-9-10-11-12-19-28-23(26)20-24(29-19)30(14-27-20)25-22(36-17(4)33)21(35-16(3)32)18(37-25)13-34-15(2)31/h14,18,21-22,25H,5-10,13H2,1-4H3