6-[4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]-7H-purine

Systemtic Name: 6-[4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]-7H-purine Openeye Name: 6-[4-[[5-(p-tolyl)benzofuran-2-yl]methyl]piperazin-1-yl]-7H-purine CAS Name: 6-[4-[[5-(4-methylphenyl)-2-benzofuranyl]methyl]-1-piperazinyl]-7H-purine IUPAC Name: 6-[4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]-7H-purine Traditional Name: 6-[4-[[5-(p-tolyl)benzofuran-2-yl]methyl]piperazino]-7H-purine Formula: C25H24N6O MolecularWeight: 424.49766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)CN4CCN(CC4)C5=NC=NC6=C5NC=N6

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)CN4CCN(CC4)C5=NC=NC6=C5NC=N6

InChI

InChI=1S/C25H24N6O/c1-17-2-4-18(5-3-17)19-6-7-22-20(12-19)13-21(32-22)14-30-8-10-31(11-9-30)25-23-24(27-15-26-23)28-16-29-25/h2-7,12-13,15-16H,8-11,14H2,1H3,(H,26,27,28,29)