methyl 3-[[5-fluoranyl-4-[(3-hydroxyphenyl)amino]pyrimidin-2-yl]amino]-5-(trifluoromethyl)benzoate

Systemtic Name: methyl 3-[[5-fluoranyl-4-[(3-hydroxyphenyl)amino]pyrimidin-2-yl]amino]-5-(trifluoromethyl)benzoate Openeye Name: methyl 3-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-5-(trifluoromethyl)benzoate CAS Name: 3-[[5-fluoro-4-(3-hydroxyanilino)-2-pyrimidinyl]amino]-5-(trifluoromethyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-5-(trifluoromethyl)benzoate Traditional Name: 3-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-5-(trifluoromethyl)benzoic acid methyl ester Formula: C19H14F4N4O3 MolecularWeight: 422.333073

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)O)F)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)O)F)C(F)(F)F

InChI

InChI=1S/C19H14F4N4O3/c1-30-17(29)10-5-11(19(21,22)23)7-13(6-10)26-18-24-9-15(20)16(27-18)25-12-3-2-4-14(28)8-12/h2-9,28H,1H3,(H2,24,25,26,27)