4-fluoranylphenol; 4-(4-fluoranylphenoxy)-2-methylsulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-fluoranylphenol; 4-(4-fluoranylphenoxy)-2-methylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 4-fluorophenol; 4-(4-fluorophenoxy)-2-methylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-fluorophenol; 4-(4-fluorophenoxy)-2-(methylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4-fluorophenol; 4-(4-fluorophenoxy)-2-methylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-fluorophenol; 4-(4-fluorophenoxy)-2-(methylthio)pyrimidine-5-carboxylic acid Formula: C18H14F2N2O4S MolecularWeight: 392.376566

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)OC2=CC=C(C=C2)F)C(=O)O.C1=CC(=CC=C1O)F

Isomeric SMILES

CSC1=NC=C(C(=N1)OC2=CC=C(C=C2)F)C(=O)O.C1=CC(=CC=C1O)F

InChI

InChI=1S/C12H9FN2O3S.C6H5FO/c1-19-12-14-6-9(11(16)17)10(15-12)18-8-4-2-7(13)3-5-8;7-5-1-3-6(8)4-2-5/h2-6H,1H3,(H,16,17);1-4,8H