[(2R,3R,4R,5R)-5-[2-acetamido-6-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxy-purin-9-yl]-3,4-diacetyloxy-oxolan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4R,5R)-5-[2-acetamido-6-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxy-purin-9-yl]-3,4-diacetyloxy-oxolan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4R,5R)-5-[2-acetamido-6-(2,4,6-triisopropylphenyl)sulfonyloxy-purin-9-yl]-3,4-diacetoxy-tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4R,5R)-5-[2-acetamido-6-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxy-9-purinyl]-3,4-diacetyloxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4R,5R)-5-[2-acetamido-6-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxypurin-9-yl]-3,4-diacetyloxyoxolan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4R,5R)-5-[2-acetamido-6-(2,4,6-triisopropylphenyl)sulfonyloxy-purin-9-yl]-3,4-diacetoxy-tetrahydrofuran-2-yl]methyl ester Formula: C33H43N5O11S MolecularWeight: 717.78642

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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=CN3C4C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)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]4[C@@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)C(C)C

InChI

InChI=1S/C33H43N5O11S/c1-15(2)22-11-23(16(3)4)29(24(12-22)17(5)6)50(43,44)49-31-26-30(36-33(37-31)35-18(7)39)38(14-34-26)32-28(47-21(10)42)27(46-20(9)41)25(48-32)13-45-19(8)40/h11-12,14-17,25,27-28,32H,13H2,1-10H3,(H,35,36,37,39)/t25-,27-,28-,32-/m1/s1