[5-(2-acetamido-6-chloranyl-purin-9-yl)-3-acetyloxy-4-methoxy-oxolan-2-yl]methyl ethanoate

Systemtic Name: [5-(2-acetamido-6-chloranyl-purin-9-yl)-3-acetyloxy-4-methoxy-oxolan-2-yl]methyl ethanoate Openeye Name: [5-(2-acetamido-6-chloro-purin-9-yl)-3-acetoxy-4-methoxy-tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [5-(2-acetamido-6-chloro-9-purinyl)-3-acetyloxy-4-methoxy-2-oxolanyl]methyl ester IUPAC Name: [5-(2-acetamido-6-chloropurin-9-yl)-3-acetyloxy-4-methoxyoxolan-2-yl]methyl acetate Traditional Name: acetic acid [5-(2-acetamido-6-chloro-purin-9-yl)-3-acetoxy-4-methoxy-tetrahydrofuran-2-yl]methyl ester Formula: C17H20ClN5O7 MolecularWeight: 441.823

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(C(=N1)Cl)N=CN2C3C(C(C(O3)COC(=O)C)OC(=O)C)OC

Isomeric SMILES

CC(=O)NC1=NC2=C(C(=N1)Cl)N=CN2C3C(C(C(O3)COC(=O)C)OC(=O)C)OC

InChI

InChI=1S/C17H20ClN5O7/c1-7(24)20-17-21-14(18)11-15(22-17)23(6-19-11)16-13(27-4)12(29-9(3)26)10(30-16)5-28-8(2)25/h6,10,12-13,16H,5H2,1-4H3,(H,20,21,22,24)