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

Systemtic Name: [3,4-diacetyloxy-5-(6-chloranyl-2-pent-1-ynyl-purin-9-yl)oxolan-2-yl]methyl ethanoate Openeye Name: [3,4-diacetoxy-5-(6-chloro-2-pent-1-ynyl-purin-9-yl)tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [3,4-diacetyloxy-5-(6-chloro-2-pent-1-ynyl-9-purinyl)-2-oxolanyl]methyl ester IUPAC Name: [3,4-diacetyloxy-5-(6-chloro-2-pent-1-ynylpurin-9-yl)oxolan-2-yl]methyl acetate Traditional Name: acetic acid [3,4-diacetoxy-5-(6-chloro-2-pent-1-ynyl-purin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C21H23ClN4O7 MolecularWeight: 478.88292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O7/c1-5-6-7-8-15-24-19(22)16-20(25-15)26(10-23-16)21-18(32-13(4)29)17(31-12(3)28)14(33-21)9-30-11(2)27/h10,14,17-18,21H,5-6,9H2,1-4H3