(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[6-(pyren-1-ylmethylamino)purin-9-yl]oxolan-3-ol

Systemtic Name: (2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[6-(pyren-1-ylmethylamino)purin-9-yl]oxolan-3-ol Openeye Name: (2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[6-(pyren-1-ylmethylamino)purin-9-yl]tetrahydrofuran-3-ol CAS Name: (2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[6-(1-pyrenylmethylamino)-9-purinyl]-3-oxolanol IUPAC Name: (2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[6-(pyren-1-ylmethylamino)purin-9-yl]oxolan-3-ol Traditional Name: (2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[6-(pyren-1-ylmethylamino)purin-9-yl]tetrahydrofuran-3-ol Formula: C48H41N5O5 MolecularWeight: 767.86964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(CC(O4)N5C=NC6=C5N=CN=C6NCC7=C8C=CC9=CC=CC1=C9C8=C(C=C1)C=C7)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H](C[C@@H](O4)N5C=NC6=C5N=CN=C6NCC7=C8C=CC9=CC=CC1=C9C8=C(C=C1)C=C7)O

InChI

InChI=1S/C48H41N5O5/c1-55-37-20-16-35(17-21-37)48(34-9-4-3-5-10-34,36-18-22-38(56-2)23-19-36)57-27-41-40(54)25-42(58-41)53-29-52-45-46(50-28-51-47(45)53)49-26-33-14-13-32-12-11-30-7-6-8-31-15-24-39(33)44(32)43(30)31/h3-24,28-29,40-42,54H,25-27H2,1-2H3,(H,49,50,51)/t40-,41+,42+/m0/s1