2-[2-(4-chloranyl-3-fluoranyl-phenyl)-6-(propylamino)pyrimidin-4-yl]oxy-2-methyl-propanoic acid

Systemtic Name: 2-[2-(4-chloranyl-3-fluoranyl-phenyl)-6-(propylamino)pyrimidin-4-yl]oxy-2-methyl-propanoic acid Openeye Name: 2-[2-(4-chloro-3-fluoro-phenyl)-6-(propylamino)pyrimidin-4-yl]oxy-2-methyl-propanoic acid CAS Name: 2-[[2-(4-chloro-3-fluorophenyl)-6-(propylamino)-4-pyrimidinyl]oxy]-2-methylpropanoic acid IUPAC Name: 2-[2-(4-chloro-3-fluorophenyl)-6-(propylamino)pyrimidin-4-yl]oxy-2-methylpropanoic acid Traditional Name: 2-[2-(4-chloro-3-fluoro-phenyl)-6-(propylamino)pyrimidin-4-yl]oxy-2-methyl-propionic acid Formula: C17H19ClFN3O3 MolecularWeight: 367.802463

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=CC(=NC(=N1)C2=CC(=C(C=C2)Cl)F)OC(C)(C)C(=O)O

Isomeric SMILES

CCCNC1=CC(=NC(=N1)C2=CC(=C(C=C2)Cl)F)OC(C)(C)C(=O)O

InChI

InChI=1S/C17H19ClFN3O3/c1-4-7-20-13-9-14(25-17(2,3)16(23)24)22-15(21-13)10-5-6-11(18)12(19)8-10/h5-6,8-9H,4,7H2,1-3H3,(H,23,24)(H,20,21,22)