N-[2-[3,5-bis(bromanyl)-4-[3-[(3-methylpurin-6-yl)amino]propoxy]phenyl]ethyl]-N-methyl-ethanamide

Systemtic Name: N-[2-[3,5-bis(bromanyl)-4-[3-[(3-methylpurin-6-yl)amino]propoxy]phenyl]ethyl]-N-methyl-ethanamide Openeye Name: N-[2-[3,5-dibromo-4-[3-[(3-methylpurin-6-yl)amino]propoxy]phenyl]ethyl]-N-methyl-acetamide CAS Name: N-[2-[3,5-dibromo-4-[3-[(3-methyl-6-purinyl)amino]propoxy]phenyl]ethyl]-N-methylacetamide IUPAC Name: N-[2-[3,5-dibromo-4-[3-[(3-methylpurin-6-yl)amino]propoxy]phenyl]ethyl]-N-methylacetamide Traditional Name: N-[2-[3,5-dibromo-4-[3-[(3-methylpurin-6-yl)amino]propoxy]phenyl]ethyl]-N-methyl-acetamide Formula: C20H24Br2N6O2 MolecularWeight: 540.25156

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C)CCC1=CC(=C(C(=C1)Br)OCCCNC2=C3C(=NC=N3)N(C=N2)C)Br

Isomeric SMILES

CC(=O)N(C)CCC1=CC(=C(C(=C1)Br)OCCCNC2=C3C(=NC=N3)N(C=N2)C)Br

InChI

InChI=1S/C20H24Br2N6O2/c1-13(29)27(2)7-5-14-9-15(21)18(16(22)10-14)30-8-4-6-23-19-17-20(25-11-24-17)28(3)12-26-19/h9-12,23H,4-8H2,1-3H3