8-azanyl-2-[2,5-bis(phenylmethoxy)phenyl]purin-6-one

Systemtic Name: 8-azanyl-2-[2,5-bis(phenylmethoxy)phenyl]purin-6-one Openeye Name: 8-amino-2-(2,5-dibenzyloxyphenyl)purin-6-one CAS Name: 8-amino-2-[2,5-bis(phenylmethoxy)phenyl]-6-purinone IUPAC Name: 8-amino-2-[2,5-bis(phenylmethoxy)phenyl]purin-6-one Traditional Name: 8-amino-2-(2,5-dibenzoxyphenyl)purin-6-one Formula: C25H19N5O3 MolecularWeight: 437.45006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC(=C(C=C2)OCC3=CC=CC=C3)C4=NC(=O)C5=NC(=NC5=N4)N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC(=C(C=C2)OCC3=CC=CC=C3)C4=NC(=O)C5=NC(=NC5=N4)N

InChI

InChI=1S/C25H19N5O3/c26-25-27-21-23(30-25)28-22(29-24(21)31)19-13-18(32-14-16-7-3-1-4-8-16)11-12-20(19)33-15-17-9-5-2-6-10-17/h1-13H,14-15H2,(H2,26,28,29,30,31)