[(6aR,8R,9R,9aR)-8-[(2-acetamido-5-formamido-4-oxidanylidene-1H-pyrimidin-6-yl)amino]-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] 3-(trifluoromethyl)benzoate

Systemtic Name: [(6aR,8R,9R,9aR)-8-[(2-acetamido-5-formamido-4-oxidanylidene-1H-pyrimidin-6-yl)amino]-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] 3-(trifluoromethyl)benzoate Openeye Name: [(6aR,8R,9R,9aR)-8-[(2-acetamido-5-formamido-4-oxo-1H-pyrimidin-6-yl)amino]-2,2,4,4-tetraisopropyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid [(6aR,8R,9R,9aR)-8-[(2-acetamido-5-formamido-4-oxo-1H-pyrimidin-6-yl)amino]-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] ester IUPAC Name: [(6aR,8R,9R,9aR)-8-[(2-acetamido-5-formamido-4-oxo-1H-pyrimidin-6-yl)amino]-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid [(6aR,8R,9R,9aR)-8-[(2-acetamido-5-formamido-4-keto-1H-pyrimidin-6-yl)amino]-2,2,4,4-tetraisopropyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] ester Formula: C32H46F3N5O9Si2 MolecularWeight: 757.90195

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[Si]1(OCC2C(C(C(O2)NC3=C(C(=O)N=C(N3)NC(=O)C)NC=O)OC(=O)C4=CC(=CC=C4)C(F)(F)F)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@@H](O2)NC3=C(C(=O)N=C(N3)NC(=O)C)NC=O)OC(=O)C4=CC(=CC=C4)C(F)(F)F)O[Si](O1)(C(C)C)C(C)C)C(C)C

InChI

InChI=1S/C32H46F3N5O9Si2/c1-16(2)50(17(3)4)45-14-23-25(48-51(49-50,18(5)6)19(7)8)26(47-30(44)21-11-10-12-22(13-21)32(33,34)35)29(46-23)38-27-24(36-15-41)28(43)40-31(39-27)37-20(9)42/h10-13,15-19,23,25-26,29H,14H2,1-9H3,(H,36,41)(H3,37,38,39,40,42,43)/t23-,25-,26-,29-/m1/s1