9-[3,4,5-tris(phenylmethoxy)oxan-2-yl]-3H-purine-6-thione

Systemtic Name: 9-[3,4,5-tris(phenylmethoxy)oxan-2-yl]-3H-purine-6-thione Openeye Name: 9-(3,4,5-tribenzyloxytetrahydropyran-2-yl)-3H-purine-6-thione CAS Name: 9-[3,4,5-tris(phenylmethoxy)-2-oxanyl]-3H-purine-6-thione IUPAC Name: 9-[3,4,5-tris(phenylmethoxy)oxan-2-yl]-3H-purine-6-thione Traditional Name: 9-(3,4,5-tribenzoxytetrahydropyran-2-yl)-3H-purine-6-thione Formula: C31H30N4O4S MolecularWeight: 554.6593

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(O1)N2C=NC3=C2NC=NC3=S)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

Isomeric SMILES

C1C(C(C(C(O1)N2C=NC3=C2NC=NC3=S)OCC4=CC=CC=C4)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(19-39-31)36-16-22-10-4-1-5-11-22/h1-15,20-21,25,27-28,31H,16-19H2,(H,32,33,40)