2-[(1R,2R)-2-[(4-methoxyphenyl)-diphenyl-methoxy]-1-[6-[[(4-methoxyphenyl)-diphenyl-methyl]amino]purin-9-yl]-3-oxidanyl-propoxy]propane-1,3-diol

Systemtic Name: 2-[(1R,2R)-2-[(4-methoxyphenyl)-diphenyl-methoxy]-1-[6-[[(4-methoxyphenyl)-diphenyl-methyl]amino]purin-9-yl]-3-oxidanyl-propoxy]propane-1,3-diol Openeye Name: 2-[(1R,2R)-3-hydroxy-2-[(4-methoxyphenyl)-diphenyl-methoxy]-1-[6-[[(4-methoxyphenyl)-diphenyl-methyl]amino]purin-9-yl]propoxy]propane-1,3-diol CAS Name: 2-[(1R,2R)-3-hydroxy-2-[(4-methoxyphenyl)-diphenylmethoxy]-1-[6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-9-purinyl]propoxy]propane-1,3-diol IUPAC Name: 2-[(1R,2R)-3-hydroxy-2-[(4-methoxyphenyl)-diphenylmethoxy]-1-[6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]propoxy]propane-1,3-diol Traditional Name: 2-[(1R,2R)-3-hydroxy-2-[(4-methoxyphenyl)-diphenyl-methoxy]-1-[6-[[(4-methoxyphenyl)-diphenyl-methyl]amino]purin-9-yl]propoxy]propane-1,3-diol Formula: C51H49N5O7 MolecularWeight: 843.96406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC=NC5=C4N=CN5C(C(CO)OC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=C(C=C8)OC)OC(CO)CO

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC=NC5=C4N=CN5[C@@H]([C@@H](CO)OC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=C(C=C8)OC)OC(CO)CO

InChI

InChI=1S/C51H49N5O7/c1-60-42-27-23-38(24-28-42)50(36-15-7-3-8-16-36,37-17-9-4-10-18-37)55-47-46-48(53-34-52-47)56(35-54-46)49(62-44(31-57)32-58)45(33-59)63-51(39-19-11-5-12-20-39,40-21-13-6-14-22-40)41-25-29-43(61-2)30-26-41/h3-30,34-35,44-45,49,57-59H,31-33H2,1-2H3,(H,52,53,55)/t45-,49-/m1/s1