5-[[7-methoxy-2-(trifluoromethyl)quinolin-4-yl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[7-methoxy-2-(trifluoromethyl)quinolin-4-yl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[7-methoxy-2-(trifluoromethyl)-4-quinolyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[7-methoxy-2-(trifluoromethyl)-4-quinolinyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[7-methoxy-2-(trifluoromethyl)quinolin-4-yl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[[7-methoxy-2-(trifluoromethyl)-4-quinolyl]methyl]pyrimidin-4-yl]amine Formula: C16H14F3N5O MolecularWeight: 349.31047

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=N2)C(F)(F)F)CC3=CN=C(N=C3N)N

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=N2)C(F)(F)F)CC3=CN=C(N=C3N)N

InChI

InChI=1S/C16H14F3N5O/c1-25-10-2-3-11-8(4-9-7-22-15(21)24-14(9)20)5-13(16(17,18)19)23-12(11)6-10/h2-3,5-7H,4H2,1H3,(H4,20,21,22,24)