[3,4-diacetyloxy-5-[2-azanyl-6-(4-chlorophenyl)sulfanyl-7H-purin-8-yl]oxolan-2-yl]methyl ethanoate

Systemtic Name: [3,4-diacetyloxy-5-[2-azanyl-6-(4-chlorophenyl)sulfanyl-7H-purin-8-yl]oxolan-2-yl]methyl ethanoate Openeye Name: [3,4-diacetoxy-5-[2-amino-6-(4-chlorophenyl)sulfanyl-7H-purin-8-yl]tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [3,4-diacetyloxy-5-[2-amino-6-[(4-chlorophenyl)thio]-7H-purin-8-yl]-2-oxolanyl]methyl ester IUPAC Name: [3,4-diacetyloxy-5-[2-amino-6-(4-chlorophenyl)sulfanyl-7H-purin-8-yl]oxolan-2-yl]methyl acetate Traditional Name: acetic acid [3,4-diacetoxy-5-[2-amino-6-[(4-chlorophenyl)thio]-7H-purin-8-yl]tetrahydrofuran-2-yl]methyl ester Formula: C22H22ClN5O7S MolecularWeight: 535.95738

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(O1)C2=NC3=C(N2)C(=NC(=N3)N)SC4=CC=C(C=C4)Cl)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(O1)C2=NC3=C(N2)C(=NC(=N3)N)SC4=CC=C(C=C4)Cl)OC(=O)C)OC(=O)C

InChI

InChI=1S/C22H22ClN5O7S/c1-9(29)32-8-14-16(33-10(2)30)17(34-11(3)31)18(35-14)20-25-15-19(26-20)27-22(24)28-21(15)36-13-6-4-12(23)5-7-13/h4-7,14,16-18H,8H2,1-3H3,(H3,24,25,26,27,28)