5-chloranyl-2-[3-(4-fluoranylphenoxy)propylsulfanyl]pyrimidine-4-carboxylic acid

Systemtic Name: 5-chloranyl-2-[3-(4-fluoranylphenoxy)propylsulfanyl]pyrimidine-4-carboxylic acid Openeye Name: 5-chloro-2-[3-(4-fluorophenoxy)propylsulfanyl]pyrimidine-4-carboxylic acid CAS Name: 5-chloro-2-[3-(4-fluorophenoxy)propylthio]-4-pyrimidinecarboxylic acid IUPAC Name: 5-chloro-2-[3-(4-fluorophenoxy)propylsulfanyl]pyrimidine-4-carboxylic acid Traditional Name: 5-chloro-2-[3-(4-fluorophenoxy)propylthio]pyrimidine-4-carboxylic acid Formula: C14H12ClFN2O3S MolecularWeight: 342.773083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCCSC2=NC=C(C(=N2)C(=O)O)Cl)F

Isomeric SMILES

C1=CC(=CC=C1OCCCSC2=NC=C(C(=N2)C(=O)O)Cl)F

InChI

InChI=1S/C14H12ClFN2O3S/c15-11-8-17-14(18-12(11)13(19)20)22-7-1-6-21-10-4-2-9(16)3-5-10/h2-5,8H,1,6-7H2,(H,19,20)