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

Systemtic Name: 4-methyl-6-[(3-methylphenyl)methylsulfanyl]-2-propan-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 2-isopropyl-4-methyl-6-(m-tolylmethylsulfanyl)pyrimidine-5-carboxylic acid CAS Name: 4-methyl-6-[(3-methylphenyl)methylthio]-2-propan-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-methyl-6-[(3-methylphenyl)methylsulfanyl]-2-propan-2-ylpyrimidine-5-carboxylic acid Traditional Name: 2-isopropyl-4-methyl-6-[(3-methylbenzyl)thio]pyrimidine-5-carboxylic acid Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O2S/c1-10(2)15-18-12(4)14(17(20)21)16(19-15)22-9-13-7-5-6-11(3)8-13/h5-8,10H,9H2,1-4H3,(H,20,21)