[(6aR,8R,9S,9aR)-8-[(Z)-2-cyanoprop-1-enyl]-8-[6-(2,2-dimethylpropanoylamino)purin-9-yl]-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] 2,2-dimethylpropanoate

Systemtic Name: [(6aR,8R,9S,9aR)-8-[(Z)-2-cyanoprop-1-enyl]-8-[6-(2,2-dimethylpropanoylamino)purin-9-yl]-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] 2,2-dimethylpropanoate Openeye Name: [(6aR,8R,9S,9aR)-8-[(Z)-2-cyanoprop-1-enyl]-8-[6-(2,2-dimethylpropanoylamino)purin-9-yl]-2,2,4,4-tetraisopropyl-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(6aR,8R,9S,9aR)-8-[(Z)-2-cyanoprop-1-enyl]-8-[6-[(2,2-dimethyl-1-oxopropyl)amino]-9-purinyl]-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] ester IUPAC Name: [(6aR,8R,9S,9aR)-8-[(Z)-2-cyanoprop-1-enyl]-8-[6-(2,2-dimethylpropanoylamino)purin-9-yl]-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(6aR,8R,9S,9aR)-8-[(Z)-2-cyanoprop-1-enyl]-2,2,4,4-tetraisopropyl-8-[6-(pivaloylamino)purin-9-yl]-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] ester Formula: C36H58N6O7Si2 MolecularWeight: 743.05272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[Si]1(OCC2C(C(C(O2)(C=C(C)C#N)N3C=NC4=C3N=CN=C4NC(=O)C(C)(C)C)OC(=O)C(C)(C)C)O[Si](O1)(C(C)C)C(C)C)C(C)C

Isomeric SMILES

CC(C)[Si]1(OC[C@@H]2[C@H]([C@@H]([C@](O2)(/C=C(/C)\C#N)N3C=NC4=C3N=CN=C4NC(=O)C(C)(C)C)OC(=O)C(C)(C)C)O[Si](O1)(C(C)C)C(C)C)C(C)C

InChI

InChI=1S/C36H58N6O7Si2/c1-21(2)50(22(3)4)45-18-26-28(48-51(49-50,23(5)6)24(7)8)29(46-33(44)35(13,14)15)36(47-26,16-25(9)17-37)42-20-40-27-30(38-19-39-31(27)42)41-32(43)34(10,11)12/h16,19-24,26,28-29H,18H2,1-15H3,(H,38,39,41,43)/b25-16-/t26-,28-,29+,36-/m1/s1