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

Systemtic Name: 6-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]-7H-purine Openeye Name: 6-[4-[[5-(3-thienyl)benzofuran-2-yl]methyl]piperazin-1-yl]-7H-purine CAS Name: 6-[4-[[5-(3-thiophenyl)-2-benzofuranyl]methyl]-1-piperazinyl]-7H-purine IUPAC Name: 6-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]-7H-purine Traditional Name: 6-[4-[[5-(3-thienyl)benzofuran-2-yl]methyl]piperazino]-7H-purine Formula: C22H20N6OS MolecularWeight: 416.4988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N6OS/c1-2-19-17(9-15(1)16-3-8-30-12-16)10-18(29-19)11-27-4-6-28(7-5-27)22-20-21(24-13-23-20)25-14-26-22/h1-3,8-10,12-14H,4-7,11H2,(H,23,24,25,26)