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

Systemtic Name: methyl 3-[(2-chloranyl-5-fluoranyl-pyrimidin-4-yl)amino]-5-(trifluoromethyl)benzoate Openeye Name: methyl 3-[(2-chloro-5-fluoro-pyrimidin-4-yl)amino]-5-(trifluoromethyl)benzoate CAS Name: 3-[(2-chloro-5-fluoro-4-pyrimidinyl)amino]-5-(trifluoromethyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-5-(trifluoromethyl)benzoate Traditional Name: 3-[(2-chloro-5-fluoro-pyrimidin-4-yl)amino]-5-(trifluoromethyl)benzoic acid methyl ester Formula: C13H8ClF4N3O2 MolecularWeight: 349.668133

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC2=NC(=NC=C2F)Cl)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=NC(=NC=C2F)Cl)C(F)(F)F

InChI

InChI=1S/C13H8ClF4N3O2/c1-23-11(22)6-2-7(13(16,17)18)4-8(3-6)20-10-9(15)5-19-12(14)21-10/h2-5H,1H3,(H,19,20,21)