4-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-2-cyclopentyl-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-2-cyclopentyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-2-cyclopentyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(2-chloro-4-fluorophenyl)methylthio]-2-cyclopentyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(2-chloro-4-fluorophenyl)methylsulfanyl]-2-cyclopentyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-[(2-chloro-4-fluoro-benzyl)thio]-2-cyclopentyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C18H18ClFN2O2S MolecularWeight: 380.864123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CCCC2)SCC3=C(C=C(C=C3)F)Cl)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CCCC2)SCC3=C(C=C(C=C3)F)Cl)C(=O)O

InChI

InChI=1S/C18H18ClFN2O2S/c1-10-15(18(23)24)17(22-16(21-10)11-4-2-3-5-11)25-9-12-6-7-13(20)8-14(12)19/h6-8,11H,2-5,9H2,1H3,(H,23,24)