2-azanyl-7-methoxy-9-[methylperoxy-(3-oxidanylpropoxy)-(triphenylmethyl)oxy-methyl]-1-(triphenylmethyl)-8H-purin-6-one

Systemtic Name: 2-azanyl-7-methoxy-9-[methylperoxy-(3-oxidanylpropoxy)-(triphenylmethyl)oxy-methyl]-1-(triphenylmethyl)-8H-purin-6-one Openeye Name: 2-amino-9-(3-hydroxypropoxy-methylperoxy-trityloxy-methyl)-7-methoxy-1-trityl-8H-purin-6-one CAS Name: 2-amino-9-[3-hydroxypropoxy-methyldioxy-(triphenylmethyl)oxymethyl]-7-methoxy-1-(triphenylmethyl)-8H-purin-6-one IUPAC Name: 2-amino-9-(3-hydroxypropoxy-methylperoxy-trityloxymethyl)-7-methoxy-1-trityl-8H-purin-6-one Traditional Name: 2-amino-9-(3-hydroxypropoxy-methylperoxy-trityloxy-methyl)-7-methoxy-1-trityl-8H-purin-6-one Formula: C49H47N5O7 MolecularWeight: 817.92678

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Descriptors Computed from Structure

Canonical SMILES:

CON1CN(C2=C1C(=O)N(C(=N2)N)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(OCCCO)(OC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)OOC

Isomeric SMILES

CON1CN(C2=C1C(=O)N(C(=N2)N)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(OCCCO)(OC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)OOC

InChI

InChI=1S/C49H47N5O7/c1-57-53-36-52(44-43(53)45(56)54(46(50)51-44)47(37-22-9-3-10-23-37,38-24-11-4-12-25-38)39-26-13-5-14-27-39)49(61-58-2,59-35-21-34-55)60-48(40-28-15-6-16-29-40,41-30-17-7-18-31-41)42-32-19-8-20-33-42/h3-20,22-33,55H,21,34-36H2,1-2H3,(H2,50,51)