9-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-3H-purine-6-thione

Systemtic Name: 9-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-3H-purine-6-thione Openeye Name: 9-[3,4-dibenzyloxy-5-(benzyloxymethyl)tetrahydrofuran-2-yl]-3H-purine-6-thione CAS Name: 9-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-2-oxolanyl]-3H-purine-6-thione IUPAC Name: 9-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-3H-purine-6-thione Traditional Name: 9-[3,4-dibenzoxy-5-(benzoxymethyl)tetrahydrofuran-2-yl]-3H-purine-6-thione Formula: C31H30N4O4S MolecularWeight: 554.6593

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2C(C(C(O2)N3C=NC4=C3NC=NC4=S)OCC5=CC=CC=C5)OCC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)COCC2C(C(C(O2)N3C=NC4=C3NC=NC4=S)OCC5=CC=CC=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C31H30N4O4S/c40-30-26-29(32-20-33-30)35(21-34-26)31-28(38-18-24-14-8-3-9-15-24)27(37-17-23-12-6-2-7-13-23)25(39-31)19-36-16-22-10-4-1-5-11-22/h1-15,20-21,25,27-28,31H,16-19H2,(H,32,33,40)