4-[(3,5-dimethylphenyl)methylsulfanyl]-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(3,5-dimethylphenyl)methylsulfanyl]-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 4-[(3,5-dimethylphenyl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 4-[(3,5-dimethylphenyl)methylthio]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 4-[(3,5-dimethylphenyl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 4-[(3,5-dimethylbenzyl)thio]-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O3S/c1-8-4-9(2)6-11(5-8)7-21-13-12(14(18)19)10(3)16-15(20)17-13/h4-6H,7H2,1-3H3,(H,18,19)(H,16,17,20)