9-[2-oxidanyl-4-(triphenylmethyl)oxy-butyl]-2-[(triphenylmethyl)amino]-3H-purin-6-one

Systemtic Name: 9-[2-oxidanyl-4-(triphenylmethyl)oxy-butyl]-2-[(triphenylmethyl)amino]-3H-purin-6-one Openeye Name: 9-(2-hydroxy-4-trityloxy-butyl)-2-(tritylamino)-3H-purin-6-one CAS Name: 9-[2-hydroxy-4-(triphenylmethyl)oxybutyl]-2-[(triphenylmethyl)amino]-3H-purin-6-one IUPAC Name: 9-(2-hydroxy-4-trityloxybutyl)-2-(tritylamino)-3H-purin-6-one Traditional Name: 9-(2-hydroxy-4-trityloxy-butyl)-2-(tritylamino)-3H-purin-6-one Formula: C47H41N5O3 MolecularWeight: 723.86014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC(=O)C5=C(N4)N(C=N5)CC(CCOC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC(=O)C5=C(N4)N(C=N5)CC(CCOC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)O

InChI

InChI=1S/C47H41N5O3/c53-41(31-32-55-47(38-25-13-4-14-26-38,39-27-15-5-16-28-39)40-29-17-6-18-30-40)33-52-34-48-42-43(52)49-45(50-44(42)54)51-46(35-19-7-1-8-20-35,36-21-9-2-10-22-36)37-23-11-3-12-24-37/h1-30,34,41,53H,31-33H2,(H2,49,50,51,54)