4-[(4-chlorophenyl)methylsulfanyl]-2-cyclohexyl-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(4-chlorophenyl)methylsulfanyl]-2-cyclohexyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(4-chlorophenyl)methylsulfanyl]-2-cyclohexyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(4-chlorophenyl)methylthio]-2-cyclohexyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(4-chlorophenyl)methylsulfanyl]-2-cyclohexyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-[(4-chlorobenzyl)thio]-2-cyclohexyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C19H21ClN2O2S MolecularWeight: 376.90024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CCCCC2)SCC3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CCCCC2)SCC3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C19H21ClN2O2S/c1-12-16(19(23)24)18(25-11-13-7-9-15(20)10-8-13)22-17(21-12)14-5-3-2-4-6-14/h7-10,14H,2-6,11H2,1H3,(H,23,24)