6-[4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]-7H-purine

Systemtic Name: 6-[4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]-7H-purine Openeye Name: 6-[4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]piperazin-1-yl]-7H-purine CAS Name: 6-[4-[[5-(3-pyridinyl)-2-benzofuranyl]methyl]-1-piperazinyl]-7H-purine IUPAC Name: 6-[4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]-7H-purine Traditional Name: 6-[4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]piperazino]-7H-purine Formula: C23H21N7O MolecularWeight: 411.45914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(O2)C=CC(=C3)C4=CN=CC=C4)C5=NC=NC6=C5NC=N6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(O2)C=CC(=C3)C4=CN=CC=C4)C5=NC=NC6=C5NC=N6

InChI

InChI=1S/C23H21N7O/c1-2-17(12-24-5-1)16-3-4-20-18(10-16)11-19(31-20)13-29-6-8-30(9-7-29)23-21-22(26-14-25-21)27-15-28-23/h1-5,10-12,14-15H,6-9,13H2,(H,25,26,27,28)