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

Systemtic Name: 9-[3,4,5-tris(phenylmethoxy)oxan-2-yl]-3H-purin-6-one Openeye Name: 9-(3,4,5-tribenzyloxytetrahydropyran-2-yl)-3H-purin-6-one CAS Name: 9-[3,4,5-tris(phenylmethoxy)-2-oxanyl]-3H-purin-6-one IUPAC Name: 9-[3,4,5-tris(phenylmethoxy)oxan-2-yl]-3H-purin-6-one Traditional Name: 9-(3,4,5-tribenzoxytetrahydropyran-2-yl)-3H-purin-6-one Formula: C31H30N4O5 MolecularWeight: 538.5937

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H30N4O5/c36-30-26-29(32-20-33-30)35(21-34-26)31-28(39-18-24-14-8-3-9-15-24)27(38-17-23-12-6-2-7-13-23)25(19-40-31)37-16-22-10-4-1-5-11-22/h1-15,20-21,25,27-28,31H,16-19H2,(H,32,33,36)