2-(4-fluorophenyl)-4-(2-hydroxyethylsulfanyl)-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2-(4-fluorophenyl)-4-(2-hydroxyethylsulfanyl)-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 2-(4-fluorophenyl)-4-(2-hydroxyethylsulfanyl)-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 2-(4-fluorophenyl)-4-(2-hydroxyethylthio)-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 2-(4-fluorophenyl)-4-(2-hydroxyethylsulfanyl)-6-methylpyrimidine-5-carboxylic acid Traditional Name: 2-(4-fluorophenyl)-4-(2-hydroxyethylthio)-6-methyl-pyrimidine-5-carboxylic acid Formula: C14H13FN2O3S MolecularWeight: 308.328023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)F)SCCO)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)F)SCCO)C(=O)O

InChI

InChI=1S/C14H13FN2O3S/c1-8-11(14(19)20)13(21-7-6-18)17-12(16-8)9-2-4-10(15)5-3-9/h2-5,18H,6-7H2,1H3,(H,19,20)