[5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]oxolan-3-yl] (4-chlorophenyl) phosphate; pyridin-1-ium

Systemtic Name: [5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]oxolan-3-yl] (4-chlorophenyl) phosphate; pyridin-1-ium Openeye Name: [5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]tetrahydrofuran-3-yl] (4-chlorophenyl) phosphate; pyridin-1-ium CAS Name: [5-(6-benzamido-9-purinyl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-oxolanyl] (4-chlorophenyl) phosphate; pyridin-1-ium IUPAC Name: [5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl] (4-chlorophenyl) phosphate; pyridin-1-ium Traditional Name: [5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]tetrahydrofuran-3-yl] (4-chlorophenyl) phosphate; pyridin-1-ium Formula: C49H44ClN6O9P MolecularWeight: 927.335221

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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=C6NC(=O)C7=CC=CC=C7)OP(=O)([O-])OC8=CC=C(C=C8)Cl.C1=CC=[NH+]C=C1

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(CC(O4)N5C=NC6=C5N=CN=C6NC(=O)C7=CC=CC=C7)OP(=O)([O-])OC8=CC=C(C=C8)Cl.C1=CC=[NH+]C=C1

InChI

InChI=1S/C44H39ClN5O9P.C5H5N/c1-54-34-19-13-31(14-20-34)44(30-11-7-4-8-12-30,32-15-21-35(55-2)22-16-32)56-26-38-37(59-60(52,53)58-36-23-17-33(45)18-24-36)25-39(57-38)50-28-48-40-41(46-27-47-42(40)50)49-43(51)29-9-5-3-6-10-29;1-2-4-6-5-3-1/h3-24,27-28,37-39H,25-26H2,1-2H3,(H,52,53)(H,46,47,49,51);1-5H