4-[4-azanyl-2-(ethoxymethyl)-1-(2-methyl-2-oxidanyl-propyl)imidazo[4,5-c]quinolin-7-yl]butan-2-one

Systemtic Name: 4-[4-azanyl-2-(ethoxymethyl)-1-(2-methyl-2-oxidanyl-propyl)imidazo[4,5-c]quinolin-7-yl]butan-2-one Openeye Name: 4-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methyl-propyl)imidazo[4,5-c]quinolin-7-yl]butan-2-one CAS Name: 4-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)-7-imidazo[4,5-c]quinolinyl]-2-butanone IUPAC Name: 4-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]butan-2-one Traditional Name: 4-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methyl-propyl)imidazo[4,5-c]quinolin-7-yl]butan-2-one Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=NC2=C(N1CC(C)(C)O)C3=C(C=C(C=C3)CCC(=O)C)N=C2N

Isomeric SMILES

CCOCC1=NC2=C(N1CC(C)(C)O)C3=C(C=C(C=C3)CCC(=O)C)N=C2N

InChI

InChI=1S/C21H28N4O3/c1-5-28-11-17-24-18-19(25(17)12-21(3,4)27)15-9-8-14(7-6-13(2)26)10-16(15)23-20(18)22/h8-10,27H,5-7,11-12H2,1-4H3,(H2,22,23)