[(7R,8S,9R,10S)-7-acetyloxy-9-bromanyl-10-[[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-6-prop-2-enoxy-purin-2-yl]amino]-7,8,9,10-tetrahydrobenzo[a]pyren-8-yl] ethanoate

Systemtic Name: [(7R,8S,9R,10S)-7-acetyloxy-9-bromanyl-10-[[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-6-prop-2-enoxy-purin-2-yl]amino]-7,8,9,10-tetrahydrobenzo[a]pyren-8-yl] ethanoate Openeye Name: [(7R,8S,9R,10S)-7-acetoxy-10-[[6-allyloxy-9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]tetrahydrofuran-2-yl]purin-2-yl]amino]-9-bromo-7,8,9,10-tetrahydrobenzo[a]pyren-8-yl] acetate CAS Name: acetic acid [(7R,8S,9R,10S)-7-acetyloxy-9-bromo-10-[[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxolanyl]-6-prop-2-enoxy-2-purinyl]amino]-7,8,9,10-tetrahydrobenzo[a]pyren-8-yl] ester IUPAC Name: [(7R,8S,9R,10S)-7-acetyloxy-9-bromo-10-[[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-6-prop-2-enoxypurin-2-yl]amino]-7,8,9,10-tetrahydrobenzo[a]pyren-8-yl] acetate Traditional Name: acetic acid [(7R,8S,9R,10S)-7-acetoxy-10-[[6-allyloxy-9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]tetrahydrofuran-2-yl]purin-2-yl]amino]-9-bromo-7,8,9,10-tetrahydrobenzo[a]pyren-8-yl] ester Formula: C49H62BrN5O8Si2 MolecularWeight: 985.12028

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(C2=C(C1OC(=O)C)C=C3C=CC4=C5C3=C2C=CC5=CC=C4)NC6=NC7=C(C(=N6)OCC=C)N=CN7C8CC(C(O8)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)Br

Isomeric SMILES

CC(=O)O[C@@H]1[C@@H]([C@H](C2=C([C@H]1OC(=O)C)C=C3C=CC4=C5C3=C2C=CC5=CC=C4)NC6=NC7=C(C(=N6)OCC=C)N=CN7[C@H]8C[C@@H]([C@H](O8)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)Br

InChI

InChI=1S/C49H62BrN5O8Si2/c1-14-22-58-46-42-45(55(26-51-42)36-24-34(63-65(12,13)49(7,8)9)35(62-36)25-59-64(10,11)48(4,5)6)53-47(54-46)52-41-39-32-21-20-30-17-15-16-29-18-19-31(38(32)37(29)30)23-33(39)43(60-27(2)56)44(40(41)50)61-28(3)57/h14-21,23,26,34-36,40-41,43-44H,1,22,24-25H2,2-13H3,(H,52,53,54)/t34-,35+,36+,40+,41-,43+,44+/m0/s1