3-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]quinoline-2,7-diamine

Systemtic Name: 3-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]quinoline-2,7-diamine Openeye Name: 3-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]quinoline-2,7-diamine CAS Name: 3-[6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl]quinoline-2,7-diamine IUPAC Name: 3-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]quinoline-2,7-diamine Traditional Name: [2-amino-3-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-7-quinolyl]amine Formula: C20H14F3N5 MolecularWeight: 381.35387

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=NC=N2)C3=C(N=C4C=C(C=CC4=C3)N)N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=NC=N2)C3=C(N=C4C=C(C=CC4=C3)N)N)C(F)(F)F

InChI

InChI=1S/C20H14F3N5/c21-20(22,23)13-4-1-11(2-5-13)16-9-18(27-10-26-16)15-7-12-3-6-14(24)8-17(12)28-19(15)25/h1-10H,24H2,(H2,25,28)