ethyl 2-[(2-nitrophenyl)sulfonyl-[[(2R,3R,4R,5R)-5-[6-[(phenylmethyl)amino]purin-9-yl]-3,4-bis(triethylsilyloxy)oxolan-2-yl]methyl]amino]ethanoate

Systemtic Name: ethyl 2-[(2-nitrophenyl)sulfonyl-[[(2R,3R,4R,5R)-5-[6-[(phenylmethyl)amino]purin-9-yl]-3,4-bis(triethylsilyloxy)oxolan-2-yl]methyl]amino]ethanoate Openeye Name: ethyl 2-[[(2R,3R,4R,5R)-5-[6-(benzylamino)purin-9-yl]-3,4-bis(triethylsilyloxy)tetrahydrofuran-2-yl]methyl-(2-nitrophenyl)sulfonyl-amino]acetate CAS Name: 2-[(2-nitrophenyl)sulfonyl-[[(2R,3R,4R,5R)-5-[6-[(phenylmethyl)amino]-9-purinyl]-3,4-bis(triethylsilyloxy)-2-oxolanyl]methyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(2R,3R,4R,5R)-5-[6-(benzylamino)purin-9-yl]-3,4-bis(triethylsilyloxy)oxolan-2-yl]methyl-(2-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[(2R,3R,4R,5R)-5-[6-(benzylamino)purin-9-yl]-3,4-bis(triethylsilyloxy)tetrahydrofuran-2-yl]methyl-(2-nitrophenyl)sulfonyl-amino]acetic acid ethyl ester Formula: C39H57N7O9SSi2 MolecularWeight: 856.14738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CC1C(C(C(O1)N2C=NC3=C2N=CN=C3NCC4=CC=CC=C4)O[Si](CC)(CC)CC)O[Si](CC)(CC)CC)S(=O)(=O)C5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CN(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3NCC4=CC=CC=C4)O[Si](CC)(CC)CC)O[Si](CC)(CC)CC)S(=O)(=O)C5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C39H57N7O9SSi2/c1-8-52-33(47)26-44(56(50,51)32-23-19-18-22-30(32)46(48)49)25-31-35(54-57(9-2,10-3)11-4)36(55-58(12-5,13-6)14-7)39(53-31)45-28-43-34-37(41-27-42-38(34)45)40-24-29-20-16-15-17-21-29/h15-23,27-28,31,35-36,39H,8-14,24-26H2,1-7H3,(H,40,41,42)/t31-,35-,36-,39-/m1/s1