[3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]oxolan-3-yl]oxy-(2-cyanoethoxy)phosphoryl]oxy-3-[(2S,3S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]propyl] 4-methylbenzenesulfonate

Systemtic Name: [3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]oxolan-3-yl]oxy-(2-cyanoethoxy)phosphoryl]oxy-3-[(2S,3S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]propyl] 4-methylbenzenesulfonate Openeye Name: [3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]tetrahydrofuran-3-yl]oxy-(2-cyanoethoxy)phosphoryl]oxy-3-[(2S,3S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-oxolanyl]oxy-(2-cyanoethoxy)phosphoryl]oxy-3-[(2S,3S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]propyl] ester IUPAC Name: [3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl]oxy-(2-cyanoethoxy)phosphoryl]oxy-3-[(2S,3S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[[(2R,3S,5R)-5-adenin-9-yl-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]tetrahydrofuran-3-yl]oxy-(2-cyanoethoxy)phosphoryl]oxy-3-[(2S,3S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]propyl] ester Formula: C69H75N8O15PSSi MolecularWeight: 1347.502661

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C2C(CC(O2)N3C=C(C(=O)NC3=O)C)O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)OP(=O)(OCCC#N)OC6CC(OC6COC(C7=CC=CC=C7)(C8=CC=C(C=C8)OC)C9=CC=C(C=C9)OC)N1C=NC2=C1N=CN=C2N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC([C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)OP(=O)(OCCC#N)O[C@H]6C[C@@H](O[C@@H]6COC(C7=CC=CC=C7)(C8=CC=C(C=C8)OC)C9=CC=C(C=C9)OC)N1C=NC2=C1N=CN=C2N

InChI

InChI=1S/C69H75N8O15PSSi/c1-46-24-34-53(35-25-46)94(81,82)87-39-36-56(63-58(41-60(89-63)76-42-47(2)66(78)75-67(76)79)92-95(68(3,4)5,54-20-13-9-14-21-54)55-22-15-10-16-23-55)90-93(80,86-38-17-37-70)91-57-40-61(77-45-74-62-64(71)72-44-73-65(62)77)88-59(57)43-85-69(48-18-11-8-12-19-48,49-26-30-51(83-6)31-27-49)50-28-32-52(84-7)33-29-50/h8-16,18-35,42,44-45,56-61,63H,17,36,38-41,43H2,1-7H3,(H2,71,72,73)(H,75,78,79)/t56?,57-,58-,59+,60+,61+,63+,93?/m0/s1