6-(6-phenyl-1,3-dihydro-2-benzofuran-5-yl)-9-(phenylmethyl)purine

Systemtic Name: 6-(6-phenyl-1,3-dihydro-2-benzofuran-5-yl)-9-(phenylmethyl)purine Openeye Name: 9-benzyl-6-(6-phenyl-1,3-dihydroisobenzofuran-5-yl)purine CAS Name: 6-(6-phenyl-1,3-dihydroisobenzofuran-5-yl)-9-(phenylmethyl)purine IUPAC Name: 9-benzyl-6-(6-phenyl-1,3-dihydro-2-benzofuran-5-yl)purine Traditional Name: 9-benzyl-6-(6-phenylphthalan-5-yl)purine Formula: C26H20N4O MolecularWeight: 404.4632

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(CO1)C=C(C(=C2)C3=CC=CC=C3)C4=C5C(=NC=N4)N(C=N5)CC6=CC=CC=C6

Isomeric SMILES

C1C2=C(CO1)C=C(C(=C2)C3=CC=CC=C3)C4=C5C(=NC=N4)N(C=N5)CC6=CC=CC=C6

InChI

InChI=1S/C26H20N4O/c1-3-7-18(8-4-1)13-30-17-29-25-24(27-16-28-26(25)30)23-12-21-15-31-14-20(21)11-22(23)19-9-5-2-6-10-19/h1-12,16-17H,13-15H2