1-[4-(4-azanyl-2-butyl-imidazo[4,5-c]quinolin-1-yl)butyl]-3-(3-bromophenyl)urea

Systemtic Name: 1-[4-(4-azanyl-2-butyl-imidazo[4,5-c]quinolin-1-yl)butyl]-3-(3-bromophenyl)urea Openeye Name: 1-[4-(4-amino-2-butyl-imidazo[4,5-c]quinolin-1-yl)butyl]-3-(3-bromophenyl)urea CAS Name: 1-[4-(4-amino-2-butyl-1-imidazo[4,5-c]quinolinyl)butyl]-3-(3-bromophenyl)urea IUPAC Name: 1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-(3-bromophenyl)urea Traditional Name: 1-[4-(4-amino-2-butyl-imidazo[4,5-c]quinolin-1-yl)butyl]-3-(3-bromophenyl)urea Formula: C25H29BrN6O MolecularWeight: 509.44136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CCCCNC(=O)NC3=CC(=CC=C3)Br)C4=CC=CC=C4N=C2N

Isomeric SMILES

CCCCC1=NC2=C(N1CCCCNC(=O)NC3=CC(=CC=C3)Br)C4=CC=CC=C4N=C2N

InChI

InChI=1S/C25H29BrN6O/c1-2-3-13-21-31-22-23(19-11-4-5-12-20(19)30-24(22)27)32(21)15-7-6-14-28-25(33)29-18-10-8-9-17(26)16-18/h4-5,8-12,16H,2-3,6-7,13-15H2,1H3,(H2,27,30)(H2,28,29,33)