9-[1,3-bis-(triphenylmethyl)oxypropan-2-yl]-3H-purin-6-one

Systemtic Name: 9-[1,3-bis-(triphenylmethyl)oxypropan-2-yl]-3H-purin-6-one Openeye Name: 9-[2-trityloxy-1-(trityloxymethyl)ethyl]-3H-purin-6-one CAS Name: 9-[1,3-bis-(triphenylmethyl)oxypropan-2-yl]-3H-purin-6-one IUPAC Name: 9-(1,3-ditrityloxypropan-2-yl)-3H-purin-6-one Traditional Name: 9-[2-trityloxy-1-(trityloxymethyl)ethyl]-3H-purin-6-one Formula: C46H38N4O3 MolecularWeight: 694.81892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC(COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)N7C=NC8=C7NC=NC8=O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC(COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)N7C=NC8=C7NC=NC8=O

InChI

InChI=1S/C46H38N4O3/c51-44-42-43(47-33-48-44)50(34-49-42)41(31-52-45(35-19-7-1-8-20-35,36-21-9-2-10-22-36)37-23-11-3-12-24-37)32-53-46(38-25-13-4-14-26-38,39-27-15-5-16-28-39)40-29-17-6-18-30-40/h1-30,33-34,41H,31-32H2,(H,47,48,51)