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

Systemtic Name: 4-[4-azanyl-7-bromanyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl-tert-butyl-carbamic acid Openeye Name: 4-[4-amino-7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl-tert-butyl-carbamic acid CAS Name: 4-[4-amino-7-bromo-2-(ethoxymethyl)-1-imidazo[4,5-c]quinolinyl]butyl-tert-butylcarbamic acid IUPAC Name: 4-[4-amino-7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl-tert-butylcarbamic acid Traditional Name: 4-[4-amino-7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl-tert-butyl-carbamic acid Formula: C22H30BrN5O3 MolecularWeight: 492.4093

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=NC2=C(N1CCCCN(C(=O)O)C(C)(C)C)C3=C(C=C(C=C3)Br)N=C2N

Isomeric SMILES

CCOCC1=NC2=C(N1CCCCN(C(=O)O)C(C)(C)C)C3=C(C=C(C=C3)Br)N=C2N

InChI

InChI=1S/C22H30BrN5O3/c1-5-31-13-17-26-18-19(15-9-8-14(23)12-16(15)25-20(18)24)27(17)10-6-7-11-28(21(29)30)22(2,3)4/h8-9,12H,5-7,10-11,13H2,1-4H3,(H2,24,25)(H,29,30)