4-butylsulfanyl-2-cyclohexyl-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-butylsulfanyl-2-cyclohexyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-butylsulfanyl-2-cyclohexyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-(butylthio)-2-cyclohexyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-butylsulfanyl-2-cyclohexyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-(butylthio)-2-cyclohexyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C16H24N2O2S MolecularWeight: 308.43896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=NC(=C1C(=O)O)C)C2CCCCC2

Isomeric SMILES

CCCCSC1=NC(=NC(=C1C(=O)O)C)C2CCCCC2

InChI

InChI=1S/C16H24N2O2S/c1-3-4-10-21-15-13(16(19)20)11(2)17-14(18-15)12-8-6-5-7-9-12/h12H,3-10H2,1-2H3,(H,19,20)