[(2R,3S,5R)-5-[2-chloranyl-6-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxy-purin-9-yl]-3-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [(2R,3S,5R)-5-[2-chloranyl-6-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxy-purin-9-yl]-3-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [(2R,3S,5R)-3-benzoyloxy-5-[2-chloro-6-(2,4,6-triisopropylphenyl)sulfonyloxy-purin-9-yl]tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3S,5R)-3-benzoyloxy-5-[2-chloro-6-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxy-9-purinyl]-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,5R)-3-benzoyloxy-5-[2-chloro-6-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxypurin-9-yl]oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3S,5R)-3-benzoyloxy-5-[2-chloro-6-(2,4,6-triisopropylphenyl)sulfonyloxy-purin-9-yl]tetrahydrofuran-2-yl]methyl ester Formula: C39H41ClN4O8S MolecularWeight: 761.28284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)OC2=NC(=NC3=C2N=CN3C4CC(C(O4)COC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)Cl)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)OC2=NC(=NC3=C2N=CN3[C@H]4C[C@@H]([C@H](O4)COC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)Cl)C(C)C

InChI

InChI=1S/C39H41ClN4O8S/c1-22(2)27-17-28(23(3)4)34(29(18-27)24(5)6)53(47,48)52-36-33-35(42-39(40)43-36)44(21-41-33)32-19-30(51-38(46)26-15-11-8-12-16-26)31(50-32)20-49-37(45)25-13-9-7-10-14-25/h7-18,21-24,30-32H,19-20H2,1-6H3/t30-,31+,32+/m0/s1