2-ethyl-4-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidine-5-carboxylic acid

Systemtic Name: 2-ethyl-4-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidine-5-carboxylic acid Openeye Name: 2-ethyl-4-methyl-6-(m-tolylmethylsulfanyl)pyrimidine-5-carboxylic acid CAS Name: 2-ethyl-4-methyl-6-[(3-methylphenyl)methylthio]-5-pyrimidinecarboxylic acid IUPAC Name: 2-ethyl-4-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidine-5-carboxylic acid Traditional Name: 2-ethyl-4-methyl-6-[(3-methylbenzyl)thio]pyrimidine-5-carboxylic acid Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SCC2=CC=CC(=C2)C)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SCC2=CC=CC(=C2)C)C(=O)O)C

InChI

InChI=1S/C16H18N2O2S/c1-4-13-17-11(3)14(16(19)20)15(18-13)21-9-12-7-5-6-10(2)8-12/h5-8H,4,9H2,1-3H3,(H,19,20)