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

Systemtic Name: 6-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]-7H-purine Openeye Name: 6-[4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]-7H-purine CAS Name: 6-[4-[[5-(3-thiophenyl)-2-benzofuranyl]methyl]-1,4-diazepan-1-yl]-7H-purine IUPAC Name: 6-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]-7H-purine Traditional Name: 6-[4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]-7H-purine Formula: C23H22N6OS MolecularWeight: 430.52538

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC=NC3=C2NC=N3)CC4=CC5=C(O4)C=CC(=C5)C6=CSC=C6

Isomeric SMILES

C1CN(CCN(C1)C2=NC=NC3=C2NC=N3)CC4=CC5=C(O4)C=CC(=C5)C6=CSC=C6

InChI

InChI=1S/C23H22N6OS/c1-5-28(7-8-29(6-1)23-21-22(25-14-24-21)26-15-27-23)12-19-11-18-10-16(2-3-20(18)30-19)17-4-9-31-13-17/h2-4,9-11,13-15H,1,5-8,12H2,(H,24,25,26,27)