N6-[2-azanyl-6-(trifluoromethyl)pyrimidin-4-yl]-2-(4-methoxyphenyl)quinoline-4,6-diamine

Systemtic Name: N6-[2-azanyl-6-(trifluoromethyl)pyrimidin-4-yl]-2-(4-methoxyphenyl)quinoline-4,6-diamine Openeye Name: N6-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-2-(4-methoxyphenyl)quinoline-4,6-diamine CAS Name: N6-[2-amino-6-(trifluoromethyl)-4-pyrimidinyl]-2-(4-methoxyphenyl)quinoline-4,6-diamine IUPAC Name: 6-N-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-2-(4-methoxyphenyl)quinoline-4,6-diamine Traditional Name: [4-amino-2-(4-methoxyphenyl)-6-quinolyl]-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amine Formula: C21H17F3N6O MolecularWeight: 426.39449

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)NC4=NC(=NC(=C4)C(F)(F)F)N)C(=C2)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)NC4=NC(=NC(=C4)C(F)(F)F)N)C(=C2)N

InChI

InChI=1S/C21H17F3N6O/c1-31-13-5-2-11(3-6-13)17-9-15(25)14-8-12(4-7-16(14)28-17)27-19-10-18(21(22,23)24)29-20(26)30-19/h2-10H,1H3,(H2,25,28)(H3,26,27,29,30)