[5-(8-acetamido-6-chloranyl-purin-9-yl)-3,4-diacetyloxy-oxolan-2-yl]methyl ethanoate

Systemtic Name: [5-(8-acetamido-6-chloranyl-purin-9-yl)-3,4-diacetyloxy-oxolan-2-yl]methyl ethanoate Openeye Name: [5-(8-acetamido-6-chloro-purin-9-yl)-3,4-diacetoxy-tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [5-(8-acetamido-6-chloro-9-purinyl)-3,4-diacetyloxy-2-oxolanyl]methyl ester IUPAC Name: [5-(8-acetamido-6-chloropurin-9-yl)-3,4-diacetyloxyoxolan-2-yl]methyl acetate Traditional Name: acetic acid [5-(8-acetamido-6-chloro-purin-9-yl)-3,4-diacetoxy-tetrahydrofuran-2-yl]methyl ester Formula: C18H20ClN5O8 MolecularWeight: 469.8331

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(N1C3C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)N=CN=C2Cl

Isomeric SMILES

CC(=O)NC1=NC2=C(N1C3C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)N=CN=C2Cl

InChI

InChI=1S/C18H20ClN5O8/c1-7(25)22-18-23-12-15(19)20-6-21-16(12)24(18)17-14(31-10(4)28)13(30-9(3)27)11(32-17)5-29-8(2)26/h6,11,13-14,17H,5H2,1-4H3,(H,22,23,25)