N2-(4-methoxyphenyl)-N4-quinolin-6-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine

Systemtic Name: N2-(4-methoxyphenyl)-N4-quinolin-6-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine Openeye Name: N2-(4-methoxyphenyl)-N4-(6-quinolyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine CAS Name: N2-(4-methoxyphenyl)-N4-(6-quinolinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-(4-methoxyphenyl)-4-N-quinolin-6-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine Traditional Name: (4-methoxyphenyl)-[4-(6-quinolylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amine Formula: C21H16F3N5O MolecularWeight: 411.37985

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)N=CC=C4)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)N=CC=C4)C(F)(F)F

InChI

InChI=1S/C21H16F3N5O/c1-30-16-7-4-14(5-8-16)28-20-26-12-17(21(22,23)24)19(29-20)27-15-6-9-18-13(11-15)3-2-10-25-18/h2-12H,1H3,(H2,26,27,28,29)