[3-acetyloxy-5-(2-azanyl-8-chloranyl-purin-9-yl)-4-ethanoyl-4-oxidanyl-oxolan-2-yl]methyl ethanoate

Systemtic Name: [3-acetyloxy-5-(2-azanyl-8-chloranyl-purin-9-yl)-4-ethanoyl-4-oxidanyl-oxolan-2-yl]methyl ethanoate Openeye Name: [3-acetoxy-4-acetyl-5-(2-amino-8-chloro-purin-9-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [4-acetyl-3-acetyloxy-5-(2-amino-8-chloro-9-purinyl)-4-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [4-acetyl-3-acetyloxy-5-(2-amino-8-chloropurin-9-yl)-4-hydroxyoxolan-2-yl]methyl acetate Traditional Name: acetic acid [3-acetoxy-4-acetyl-5-(2-amino-8-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(OC1N2C3=NC(=NC=C3N=C2Cl)N)COC(=O)C)OC(=O)C)O

Isomeric SMILES

CC(=O)C1(C(C(OC1N2C3=NC(=NC=C3N=C2Cl)N)COC(=O)C)OC(=O)C)O

InChI

InChI=1S/C16H18ClN5O7/c1-6(23)16(26)11(28-8(3)25)10(5-27-7(2)24)29-13(16)22-12-9(20-14(22)17)4-19-15(18)21-12/h4,10-11,13,26H,5H2,1-3H3,(H2,18,19,21)