[3-acetyloxy-5-(2-azanyl-6-chloranyl-purin-9-yl)-4-ethanoyl-4-oxidanyl-oxolan-2-yl]methyl ethanoate

Systemtic Name: [3-acetyloxy-5-(2-azanyl-6-chloranyl-purin-9-yl)-4-ethanoyl-4-oxidanyl-oxolan-2-yl]methyl ethanoate Openeye Name: [3-acetoxy-4-acetyl-5-(2-amino-6-chloro-purin-9-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [4-acetyl-3-acetyloxy-5-(2-amino-6-chloro-9-purinyl)-4-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [4-acetyl-3-acetyloxy-5-(2-amino-6-chloropurin-9-yl)-4-hydroxyoxolan-2-yl]methyl acetate Traditional Name: acetic acid [3-acetoxy-4-acetyl-5-(2-amino-6-chloro-purin-9-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C16H18ClN5O7 MolecularWeight: 427.79642

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C(C(OC1N2C=NC3=C2N=C(N=C3Cl)N)COC(=O)C)OC(=O)C)O

Isomeric SMILES

CC(=O)C1(C(C(OC1N2C=NC3=C2N=C(N=C3Cl)N)COC(=O)C)OC(=O)C)O

InChI

InChI=1S/C16H18ClN5O7/c1-6(23)16(26)11(28-8(3)25)9(4-27-7(2)24)29-14(16)22-5-19-10-12(17)20-15(18)21-13(10)22/h5,9,11,14,26H,4H2,1-3H3,(H2,18,20,21)