9-(2-bromanyl-4-propan-2-yl-phenyl)-6-heptan-3-yloxy-2-methyl-purine

Systemtic Name: 9-(2-bromanyl-4-propan-2-yl-phenyl)-6-heptan-3-yloxy-2-methyl-purine Openeye Name: 9-(2-bromo-4-isopropyl-phenyl)-6-(1-ethylpentoxy)-2-methyl-purine CAS Name: 9-(2-bromo-4-propan-2-ylphenyl)-6-heptan-3-yloxy-2-methylpurine IUPAC Name: 9-(2-bromo-4-propan-2-ylphenyl)-6-heptan-3-yloxy-2-methylpurine Traditional Name: 9-(2-bromo-4-isopropyl-phenyl)-6-(1-ethylpentoxy)-2-methyl-purine Formula: C22H29BrN4O MolecularWeight: 445.39586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)OC1=NC(=NC2=C1N=CN2C3=C(C=C(C=C3)C(C)C)Br)C

Isomeric SMILES

CCCCC(CC)OC1=NC(=NC2=C1N=CN2C3=C(C=C(C=C3)C(C)C)Br)C

InChI

InChI=1S/C22H29BrN4O/c1-6-8-9-17(7-2)28-22-20-21(25-15(5)26-22)27(13-24-20)19-11-10-16(14(3)4)12-18(19)23/h10-14,17H,6-9H2,1-5H3