2-azanyl-9-[[1-oxidanyl-4,4,4-triphenyl-3-(triphenylmethyl)oxy-butan-2-yl]oxymethyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[[1-oxidanyl-4,4,4-triphenyl-3-(triphenylmethyl)oxy-butan-2-yl]oxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[1-(hydroxymethyl)-3,3,3-triphenyl-2-trityloxy-propoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[[1-hydroxy-4,4,4-triphenyl-3-(triphenylmethyl)oxybutan-2-yl]oxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(1-hydroxy-4,4,4-triphenyl-3-trityloxybutan-2-yl)oxymethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[(1-methylol-3,3,3-triphenyl-2-trityloxy-propoxy)methyl]-3H-purin-6-one Formula: C47H41N5O4 MolecularWeight: 739.85954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(C(CO)OCN4C=NC5=C4NC(=NC5=O)N)OC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(C(CO)OCN4C=NC5=C4NC(=NC5=O)N)OC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C47H41N5O4/c48-45-50-43-41(44(54)51-45)49-32-52(43)33-55-40(31-53)42(46(34-19-7-1-8-20-34,35-21-9-2-10-22-35)36-23-11-3-12-24-36)56-47(37-25-13-4-14-26-37,38-27-15-5-16-28-38)39-29-17-6-18-30-39/h1-30,32,40,42,53H,31,33H2,(H3,48,50,51,54)