[5-(6-aminopurin-9-yl)-3-[bis(4-methoxyphenyl)-phenyl-methoxy]oxolan-2-yl]methyl 2-phenoxyethanoate

Systemtic Name: [5-(6-aminopurin-9-yl)-3-[bis(4-methoxyphenyl)-phenyl-methoxy]oxolan-2-yl]methyl 2-phenoxyethanoate Openeye Name: [5-(6-aminopurin-9-yl)-3-[bis(4-methoxyphenyl)-phenyl-methoxy]tetrahydrofuran-2-yl]methyl 2-phenoxyacetate CAS Name: 2-phenoxyacetic acid [5-(6-aminopurin-9-yl)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-oxolanyl]methyl ester IUPAC Name: [5-(6-aminopurin-9-yl)-3-[bis(4-methoxyphenyl)-phenylmethoxy]oxolan-2-yl]methyl 2-phenoxyacetate Traditional Name: 2-phenoxyacetic acid [5-adenin-9-yl-3-[bis(4-methoxyphenyl)-phenyl-methoxy]tetrahydrofuran-2-yl]methyl ester Formula: C39H37N5O7 MolecularWeight: 687.74038

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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)OC4CC(OC4COC(=O)COC5=CC=CC=C5)N6C=NC7=C6N=CN=C7N

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC4CC(OC4COC(=O)COC5=CC=CC=C5)N6C=NC7=C6N=CN=C7N

InChI

InChI=1S/C39H37N5O7/c1-46-29-17-13-27(14-18-29)39(26-9-5-3-6-10-26,28-15-19-30(47-2)20-16-28)51-32-21-34(44-25-43-36-37(40)41-24-42-38(36)44)50-33(32)22-49-35(45)23-48-31-11-7-4-8-12-31/h3-20,24-25,32-34H,21-23H2,1-2H3,(H2,40,41,42)