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

Systemtic Name: sodium 2-[2-(4-chloranyl-3-fluoranyl-phenyl)-6-(propylamino)pyrimidin-4-yl]oxy-2-methyl-propanoate Openeye Name: sodium 2-[2-(4-chloro-3-fluoro-phenyl)-6-(propylamino)pyrimidin-4-yl]oxy-2-methyl-propanoate CAS Name: sodium 2-[[2-(4-chloro-3-fluorophenyl)-6-(propylamino)-4-pyrimidinyl]oxy]-2-methylpropanoate IUPAC Name: sodium 2-[2-(4-chloro-3-fluorophenyl)-6-(propylamino)pyrimidin-4-yl]oxy-2-methylpropanoate Traditional Name: sodium 2-[2-(4-chloro-3-fluoro-phenyl)-6-(propylamino)pyrimidin-4-yl]oxy-2-methyl-propionate Formula: C17H18ClFN3NaO3 MolecularWeight: 389.784293

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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-].[Na+]

Isomeric SMILES

CCCNC1=CC(=NC(=N1)C2=CC(=C(C=C2)Cl)F)OC(C)(C)C(=O)[O-].[Na+]

InChI

InChI=1S/C17H19ClFN3O3.Na/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);/q;+1/p-1