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

Systemtic Name: N-[3-fluoranyl-5-(trifluoromethyl)phenyl]-6,7-dimethoxy-quinazolin-4-amine hydrochloride Openeye Name: N-[3-fluoro-5-(trifluoromethyl)phenyl]-6,7-dimethoxy-quinazolin-4-amine hydrochloride CAS Name: N-[3-fluoro-5-(trifluoromethyl)phenyl]-6,7-dimethoxy-4-quinazolinamine hydrochloride IUPAC Name: N-[3-fluoro-5-(trifluoromethyl)phenyl]-6,7-dimethoxyquinazolin-4-amine hydrochloride Traditional Name: (6,7-dimethoxyquinazolin-4-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]amine hydrochloride Formula: C17H14ClF4N3O2 MolecularWeight: 403.758573

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13F4N3O2.ClH/c1-25-14-6-12-13(7-15(14)26-2)22-8-23-16(12)24-11-4-9(17(19,20)21)3-10(18)5-11;/h3-8H,1-2H3,(H,22,23,24);1H