2-cyclopropyl-4-[(3-fluorophenyl)methylsulfanyl]-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2-cyclopropyl-4-[(3-fluorophenyl)methylsulfanyl]-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 2-cyclopropyl-4-[(3-fluorophenyl)methylsulfanyl]-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 2-cyclopropyl-4-[(3-fluorophenyl)methylthio]-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 2-cyclopropyl-4-[(3-fluorophenyl)methylsulfanyl]-6-methylpyrimidine-5-carboxylic acid Traditional Name: 2-cyclopropyl-4-[(3-fluorobenzyl)thio]-6-methyl-pyrimidine-5-carboxylic acid Formula: C16H15FN2O2S MolecularWeight: 318.365903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)SCC3=CC(=CC=C3)F)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SCC3=CC(=CC=C3)F)C(=O)O

InChI

InChI=1S/C16H15FN2O2S/c1-9-13(16(20)21)15(19-14(18-9)11-5-6-11)22-8-10-3-2-4-12(17)7-10/h2-4,7,11H,5-6,8H2,1H3,(H,20,21)