4-(2-chloranyl-4-fluoranyl-phenyl)-2-[3-(dimethylamino)propoxy]pyrimidine-5-carboxylic acid

Systemtic Name: 4-(2-chloranyl-4-fluoranyl-phenyl)-2-[3-(dimethylamino)propoxy]pyrimidine-5-carboxylic acid Openeye Name: 4-(2-chloro-4-fluoro-phenyl)-2-[3-(dimethylamino)propoxy]pyrimidine-5-carboxylic acid CAS Name: 4-(2-chloro-4-fluorophenyl)-2-[3-(dimethylamino)propoxy]-5-pyrimidinecarboxylic acid IUPAC Name: 4-(2-chloro-4-fluorophenyl)-2-[3-(dimethylamino)propoxy]pyrimidine-5-carboxylic acid Traditional Name: 4-(2-chloro-4-fluoro-phenyl)-2-[3-(dimethylamino)propoxy]pyrimidine-5-carboxylic acid Formula: C16H17ClFN3O3 MolecularWeight: 353.775883

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCOC1=NC=C(C(=N1)C2=C(C=C(C=C2)F)Cl)C(=O)O

Isomeric SMILES

CN(C)CCCOC1=NC=C(C(=N1)C2=C(C=C(C=C2)F)Cl)C(=O)O

InChI

InChI=1S/C16H17ClFN3O3/c1-21(2)6-3-7-24-16-19-9-12(15(22)23)14(20-16)11-5-4-10(18)8-13(11)17/h4-5,8-9H,3,6-7H2,1-2H3,(H,22,23)