6-(4-azanylcyclohexyl)oxy-N-(3-chloranyl-4-fluoranyl-phenyl)-7-methoxy-quinazolin-4-amine; ethanoyl fluoride

Systemtic Name: 6-(4-azanylcyclohexyl)oxy-N-(3-chloranyl-4-fluoranyl-phenyl)-7-methoxy-quinazolin-4-amine; ethanoyl fluoride Openeye Name: acetyl fluoride; 6-(4-aminocyclohexoxy)-N-(3-chloro-4-fluoro-phenyl)-7-methoxy-quinazolin-4-amine CAS Name: acetyl fluoride; 6-(4-aminocyclohexyl)oxy-N-(3-chloro-4-fluorophenyl)-7-methoxy-4-quinazolinamine IUPAC Name: acetyl fluoride; 6-(4-aminocyclohexyl)oxy-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine Traditional Name: acetyl fluoride; [6-(4-aminocyclohexoxy)-7-methoxy-quinazolin-4-yl]-(3-chloro-4-fluoro-phenyl)amine Formula: C27H31ClF4N4O5 MolecularWeight: 603.005453

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)F.CC(=O)F.CC(=O)F.COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OC4CCC(CC4)N

Isomeric SMILES

CC(=O)F.CC(=O)F.CC(=O)F.COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OC4CCC(CC4)N

InChI

InChI=1S/C21H22ClFN4O2.3C2H3FO/c1-28-19-10-18-15(9-20(19)29-14-5-2-12(24)3-6-14)21(26-11-25-18)27-13-4-7-17(23)16(22)8-13;3*1-2(3)4/h4,7-12,14H,2-3,5-6,24H2,1H3,(H,25,26,27);3*1H3