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

Systemtic Name: 4-methyl-6-[(3-methylphenyl)methylsulfanyl]-2-thiophen-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 4-methyl-6-(m-tolylmethylsulfanyl)-2-(2-thienyl)pyrimidine-5-carboxylic acid CAS Name: 4-methyl-6-[(3-methylphenyl)methylthio]-2-thiophen-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-methyl-6-[(3-methylphenyl)methylsulfanyl]-2-thiophen-2-ylpyrimidine-5-carboxylic acid Traditional Name: 4-methyl-6-[(3-methylbenzyl)thio]-2-(2-thienyl)pyrimidine-5-carboxylic acid Formula: C18H16N2O2S2 MolecularWeight: 356.46184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC(=NC(=C2C(=O)O)C)C3=CC=CS3

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC(=NC(=C2C(=O)O)C)C3=CC=CS3

InChI

InChI=1S/C18H16N2O2S2/c1-11-5-3-6-13(9-11)10-24-17-15(18(21)22)12(2)19-16(20-17)14-7-4-8-23-14/h3-9H,10H2,1-2H3,(H,21,22)