9-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-fluoranyl-purine

Systemtic Name: 9-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-fluoranyl-purine Openeye Name: 9-[3,4-dibenzyloxy-5-(benzyloxymethyl)tetrahydrofuran-2-yl]-2-fluoro-purine CAS Name: 9-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-2-oxolanyl]-2-fluoropurine IUPAC Name: 9-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-fluoropurine Traditional Name: 9-[3,4-dibenzoxy-5-(benzoxymethyl)tetrahydrofuran-2-yl]-2-fluoro-purine Formula: C31H29FN4O4 MolecularWeight: 540.584763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2C(C(C(O2)N3C=NC4=CN=C(N=C43)F)OCC5=CC=CC=C5)OCC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)COCC2C(C(C(O2)N3C=NC4=CN=C(N=C43)F)OCC5=CC=CC=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C31H29FN4O4/c32-31-33-16-25-29(35-31)36(21-34-25)30-28(39-19-24-14-8-3-9-15-24)27(38-18-23-12-6-2-7-13-23)26(40-30)20-37-17-22-10-4-1-5-11-22/h1-16,21,26-28,30H,17-20H2