[(2R,3R,4R,5R)-3,4-diacetyloxy-5-[2-[2-[5-bromanyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]ethoxy]-6-chloranyl-purin-9-yl]oxolan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4R,5R)-3,4-diacetyloxy-5-[2-[2-[5-bromanyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]ethoxy]-6-chloranyl-purin-9-yl]oxolan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4R,5R)-3,4-diacetoxy-5-[2-[2-[5-bromo-1-(p-tolylsulfonyl)indol-3-yl]ethoxy]-6-chloro-purin-9-yl]tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4R,5R)-3,4-diacetyloxy-5-[2-[2-[5-bromo-1-(4-methylphenyl)sulfonyl-3-indolyl]ethoxy]-6-chloro-9-purinyl]-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4R,5R)-3,4-diacetyloxy-5-[2-[2-[5-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]ethoxy]-6-chloropurin-9-yl]oxolan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4R,5R)-3,4-diacetoxy-5-[2-[2-(5-bromo-1-tosyl-indol-3-yl)ethoxy]-6-chloro-purin-9-yl]tetrahydrofuran-2-yl]methyl ester Formula: C33H31BrClN5O10S MolecularWeight: 805.04874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)Br)CCOC4=NC5=C(C(=N4)Cl)N=CN5C6C(C(C(O6)COC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)Br)CCOC4=NC5=C(C(=N4)Cl)N=CN5[C@H]6[C@@H]([C@@H]([C@H](O6)COC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C33H31BrClN5O10S/c1-17-5-8-23(9-6-17)51(44,45)40-14-21(24-13-22(34)7-10-25(24)40)11-12-46-33-37-30(35)27-31(38-33)39(16-36-27)32-29(49-20(4)43)28(48-19(3)42)26(50-32)15-47-18(2)41/h5-10,13-14,16,26,28-29,32H,11-12,15H2,1-4H3/t26-,28-,29-,32-/m1/s1