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

Systemtic Name: 2-(4-azanyl-7-bromanyl-2-butyl-imidazo[4,5-c]quinolin-1-yl)ethyl-tert-butyl-carbamic acid Openeye Name: 2-(4-amino-7-bromo-2-butyl-imidazo[4,5-c]quinolin-1-yl)ethyl-tert-butyl-carbamic acid CAS Name: 2-(4-amino-7-bromo-2-butyl-1-imidazo[4,5-c]quinolinyl)ethyl-tert-butylcarbamic acid IUPAC Name: 2-(4-amino-7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl-tert-butylcarbamic acid Traditional Name: 2-(4-amino-7-bromo-2-butyl-imidazo[4,5-c]quinolin-1-yl)ethyl-tert-butyl-carbamic acid Formula: C21H28BrN5O2 MolecularWeight: 462.38332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CCN(C(=O)O)C(C)(C)C)C3=C(C=C(C=C3)Br)N=C2N

Isomeric SMILES

CCCCC1=NC2=C(N1CCN(C(=O)O)C(C)(C)C)C3=C(C=C(C=C3)Br)N=C2N

InChI

InChI=1S/C21H28BrN5O2/c1-5-6-7-16-25-17-18(14-9-8-13(22)12-15(14)24-19(17)23)26(16)10-11-27(20(28)29)21(2,3)4/h8-9,12H,5-7,10-11H2,1-4H3,(H2,23,24)(H,28,29)