4-(4-azanyl-7-bromanyl-2-propyl-imidazo[4,5-c]quinolin-1-yl)butyl-tert-butyl-carbamic acid

Systemtic Name: 4-(4-azanyl-7-bromanyl-2-propyl-imidazo[4,5-c]quinolin-1-yl)butyl-tert-butyl-carbamic acid Openeye Name: 4-(4-amino-7-bromo-2-propyl-imidazo[4,5-c]quinolin-1-yl)butyl-tert-butyl-carbamic acid CAS Name: 4-(4-amino-7-bromo-2-propyl-1-imidazo[4,5-c]quinolinyl)butyl-tert-butylcarbamic acid IUPAC Name: 4-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl-tert-butylcarbamic acid Traditional Name: 4-(4-amino-7-bromo-2-propyl-imidazo[4,5-c]quinolin-1-yl)butyl-tert-butyl-carbamic acid Formula: C22H30BrN5O2 MolecularWeight: 476.4099

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1CCCCN(C(=O)O)C(C)(C)C)C3=C(C=C(C=C3)Br)N=C2N

Isomeric SMILES

CCCC1=NC2=C(N1CCCCN(C(=O)O)C(C)(C)C)C3=C(C=C(C=C3)Br)N=C2N

InChI

InChI=1S/C22H30BrN5O2/c1-5-8-17-26-18-19(15-10-9-14(23)13-16(15)25-20(18)24)27(17)11-6-7-12-28(21(29)30)22(2,3)4/h9-10,13H,5-8,11-12H2,1-4H3,(H2,24,25)(H,29,30)