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

Systemtic Name: 4-[(3-fluorophenyl)methylsulfanyl]-6-methyl-2-propan-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(3-fluorophenyl)methylsulfanyl]-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(3-fluorophenyl)methylthio]-6-methyl-2-propan-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(3-fluorophenyl)methylsulfanyl]-6-methyl-2-propan-2-ylpyrimidine-5-carboxylic acid Traditional Name: 4-[(3-fluorobenzyl)thio]-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C16H17FN2O2S MolecularWeight: 320.381783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C(C)C)SCC2=CC(=CC=C2)F)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C(C)C)SCC2=CC(=CC=C2)F)C(=O)O

InChI

InChI=1S/C16H17FN2O2S/c1-9(2)14-18-10(3)13(16(20)21)15(19-14)22-8-11-5-4-6-12(17)7-11/h4-7,9H,8H2,1-3H3,(H,20,21)