9-[3-bromanyl-2-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]-8-butyl-7-methyl-8H-purine

Systemtic Name: 9-[3-bromanyl-2-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]-8-butyl-7-methyl-8H-purine Openeye Name: 9-[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]benzofuran-5-yl]-8-butyl-7-methyl-8H-purine CAS Name: 9-[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]-5-benzofuranyl]-8-butyl-7-methyl-8H-purine IUPAC Name: 9-[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]-8-butyl-7-methyl-8H-purine Traditional Name: 9-[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]benzofuran-5-yl]-8-butyl-7-methyl-8H-purine Formula: C25H23BrN8O MolecularWeight: 531.40712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1N(C2=CN=CN=C2N1C3=CC4=C(C=C3)OC(=C4Br)C5=CC=CC=C5C6=NNN=N6)C

Isomeric SMILES

CCCCC1N(C2=CN=CN=C2N1C3=CC4=C(C=C3)OC(=C4Br)C5=CC=CC=C5C6=NNN=N6)C

InChI

InChI=1S/C25H23BrN8O/c1-3-4-9-21-33(2)19-13-27-14-28-25(19)34(21)15-10-11-20-18(12-15)22(26)23(35-20)16-7-5-6-8-17(16)24-29-31-32-30-24/h5-8,10-14,21H,3-4,9H2,1-2H3,(H,29,30,31,32)