6,7-diethoxy-N-[3-fluoranyl-5-(trifluoromethyl)phenyl]quinazolin-4-amine hydrochloride

Systemtic Name: 6,7-diethoxy-N-[3-fluoranyl-5-(trifluoromethyl)phenyl]quinazolin-4-amine hydrochloride Openeye Name: 6,7-diethoxy-N-[3-fluoro-5-(trifluoromethyl)phenyl]quinazolin-4-amine hydrochloride CAS Name: 6,7-diethoxy-N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-quinazolinamine hydrochloride IUPAC Name: 6,7-diethoxy-N-[3-fluoro-5-(trifluoromethyl)phenyl]quinazolin-4-amine hydrochloride Traditional Name: (6,7-diethoxyquinazolin-4-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]amine hydrochloride Formula: C19H18ClF4N3O2 MolecularWeight: 431.811733

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC(=C3)C(F)(F)F)F)OCC.Cl

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC(=C3)C(F)(F)F)F)OCC.Cl

InChI

InChI=1S/C19H17F4N3O2.ClH/c1-3-27-16-8-14-15(9-17(16)28-4-2)24-10-25-18(14)26-13-6-11(19(21,22)23)5-12(20)7-13;/h5-10H,3-4H2,1-2H3,(H,24,25,26);1H