6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)-2-(trifluoromethyl)quinazolin-4-amine

Systemtic Name: 6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)-2-(trifluoromethyl)quinazolin-4-amine Openeye Name: 6,7-dimethoxy-N-(4-morpholinophenyl)-2-(trifluoromethyl)quinazolin-4-amine CAS Name: 6,7-dimethoxy-N-[4-(4-morpholinyl)phenyl]-2-(trifluoromethyl)-4-quinazolinamine IUPAC Name: 6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)-2-(trifluoromethyl)quinazolin-4-amine Traditional Name: [6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]-(4-morpholinophenyl)amine Formula: C21H21F3N4O3 MolecularWeight: 434.41165

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)NC3=CC=C(C=C3)N4CCOCC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)NC3=CC=C(C=C3)N4CCOCC4)OC

InChI

InChI=1S/C21H21F3N4O3/c1-29-17-11-15-16(12-18(17)30-2)26-20(21(22,23)24)27-19(15)25-13-3-5-14(6-4-13)28-7-9-31-10-8-28/h3-6,11-12H,7-10H2,1-2H3,(H,25,26,27)