2-pyridin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine dihydrochloride

Systemtic Name: 2-pyridin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine dihydrochloride Openeye Name: 2-(3-pyridyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine dihydrochloride CAS Name: 2-(3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-4-quinazolinamine dihydrochloride IUPAC Name: 2-pyridin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine dihydrochloride Traditional Name: [2-(3-pyridyl)quinazolin-4-yl]-[3-(trifluoromethyl)benzyl]amine dihydrochloride Formula: C21H17Cl2F3N4 MolecularWeight: 453.28769

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C3=CN=CC=C3)NCC4=CC(=CC=C4)C(F)(F)F.Cl.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C3=CN=CC=C3)NCC4=CC(=CC=C4)C(F)(F)F.Cl.Cl

InChI

InChI=1S/C21H15F3N4.2ClH/c22-21(23,24)16-7-3-5-14(11-16)12-26-20-17-8-1-2-9-18(17)27-19(28-20)15-6-4-10-25-13-15;;/h1-11,13H,12H2,(H,26,27,28);2*1H