6-(7-bromanyl-6-methyl-2,3-dihydro-1-benzofuran-5-yl)-9-(dicyclopropylmethyl)-8-ethyl-purine

Systemtic Name: 6-(7-bromanyl-6-methyl-2,3-dihydro-1-benzofuran-5-yl)-9-(dicyclopropylmethyl)-8-ethyl-purine Openeye Name: 6-(7-bromo-6-methyl-2,3-dihydrobenzofuran-5-yl)-9-(dicyclopropylmethyl)-8-ethyl-purine CAS Name: 6-(7-bromo-6-methyl-2,3-dihydrobenzofuran-5-yl)-9-(dicyclopropylmethyl)-8-ethylpurine IUPAC Name: 6-(7-bromo-6-methyl-2,3-dihydro-1-benzofuran-5-yl)-9-(dicyclopropylmethyl)-8-ethylpurine Traditional Name: 6-(7-bromo-6-methyl-coumaran-5-yl)-9-(dicyclopropylmethyl)-8-ethyl-purine Formula: C23H25BrN4O MolecularWeight: 453.3748

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N=CN=C2N1C(C3CC3)C4CC4)C5=CC6=C(C(=C5C)Br)OCC6

Isomeric SMILES

CCC1=NC2=C(N=CN=C2N1C(C3CC3)C4CC4)C5=CC6=C(C(=C5C)Br)OCC6

InChI

InChI=1S/C23H25BrN4O/c1-3-17-27-20-19(16-10-15-8-9-29-22(15)18(24)12(16)2)25-11-26-23(20)28(17)21(13-4-5-13)14-6-7-14/h10-11,13-14,21H,3-9H2,1-2H3