N-(4-tert-butylphenyl)-7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-amine hydrochloride

Systemtic Name: N-(4-tert-butylphenyl)-7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-amine hydrochloride Openeye Name: N-(4-tert-butylphenyl)-7-[3-(trifluoromethyl)-2-pyridyl]quinazolin-4-amine hydrochloride CAS Name: N-(4-tert-butylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-4-quinazolinamine hydrochloride IUPAC Name: N-(4-tert-butylphenyl)-7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-amine hydrochloride Traditional Name: (4-tert-butylphenyl)-[7-[3-(trifluoromethyl)-2-pyridyl]quinazolin-4-yl]amine hydrochloride Formula: C24H22ClF3N4 MolecularWeight: 458.90649

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC2=NC=NC3=C2C=CC(=C3)C4=C(C=CC=N4)C(F)(F)F.Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC2=NC=NC3=C2C=CC(=C3)C4=C(C=CC=N4)C(F)(F)F.Cl

InChI

InChI=1S/C24H21F3N4.ClH/c1-23(2,3)16-7-9-17(10-8-16)31-22-18-11-6-15(13-20(18)29-14-30-22)21-19(24(25,26)27)5-4-12-28-21;/h4-14H,1-3H3,(H,29,30,31);1H