[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-[bis(4-methoxyphenyl)-phenyl-methoxy]oxolan-2-yl]methyl 2-phenoxyethanoate

Systemtic Name: [5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-[bis(4-methoxyphenyl)-phenyl-methoxy]oxolan-2-yl]methyl 2-phenoxyethanoate Openeye Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3-[bis(4-methoxyphenyl)-phenyl-methoxy]tetrahydrofuran-2-yl]methyl 2-phenoxyacetate CAS Name: 2-phenoxyacetic acid [5-(2-amino-6-oxo-3H-purin-9-yl)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-oxolanyl]methyl ester IUPAC Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3-[bis(4-methoxyphenyl)-phenylmethoxy]oxolan-2-yl]methyl 2-phenoxyacetate Traditional Name: 2-phenoxyacetic acid [5-(2-amino-6-keto-3H-purin-9-yl)-3-[bis(4-methoxyphenyl)-phenyl-methoxy]tetrahydrofuran-2-yl]methyl ester Formula: C39H37N5O8 MolecularWeight: 703.73978

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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=C6NC(=NC7=O)N

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=C6NC(=NC7=O)N

InChI

InChI=1S/C39H37N5O8/c1-47-28-17-13-26(14-18-28)39(25-9-5-3-6-10-25,27-15-19-29(48-2)20-16-27)52-31-21-33(44-24-41-35-36(44)42-38(40)43-37(35)46)51-32(31)22-50-34(45)23-49-30-11-7-4-8-12-30/h3-20,24,31-33H,21-23H2,1-2H3,(H3,40,42,43,46)