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

Systemtic Name: 6-(3-azanylcyclohexyl)oxy-N-(3-chloranyl-4-fluoranyl-phenyl)-7-methoxy-quinazolin-4-amine dihydrochloride Openeye Name: 6-(3-aminocyclohexoxy)-N-(3-chloro-4-fluoro-phenyl)-7-methoxy-quinazolin-4-amine dihydrochloride CAS Name: 6-(3-aminocyclohexyl)oxy-N-(3-chloro-4-fluorophenyl)-7-methoxy-4-quinazolinamine dihydrochloride IUPAC Name: 6-(3-aminocyclohexyl)oxy-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine dihydrochloride Traditional Name: [6-(3-aminocyclohexoxy)-7-methoxy-quinazolin-4-yl]-(3-chloro-4-fluoro-phenyl)amine dihydrochloride Formula: C21H24Cl3FN4O2 MolecularWeight: 489.798263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OC4CCCC(C4)N.Cl.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OC4CCCC(C4)N.Cl.Cl

InChI

InChI=1S/C21H22ClFN4O2.2ClH/c1-28-19-10-18-15(9-20(19)29-14-4-2-3-12(24)7-14)21(26-11-25-18)27-13-5-6-17(23)16(22)8-13;;/h5-6,8-12,14H,2-4,7,24H2,1H3,(H,25,26,27);2*1H