2-methylsulfanyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidine-6-carboxylic acid

Systemtic Name: 2-methylsulfanyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidine-6-carboxylic acid Openeye Name: 5-benzyl-2-methylsulfanyl-4-oxo-1H-pyrimidine-6-carboxylic acid CAS Name: 2-(methylthio)-4-oxo-5-(phenylmethyl)-1H-pyrimidine-6-carboxylic acid IUPAC Name: 5-benzyl-2-methylsulfanyl-4-oxo-1H-pyrimidine-6-carboxylic acid Traditional Name: 5-benzyl-4-keto-2-(methylthio)-1H-pyrimidine-6-carboxylic acid Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C(=C(N1)C(=O)O)CC2=CC=CC=C2

Isomeric SMILES

CSC1=NC(=O)C(=C(N1)C(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C13H12N2O3S/c1-19-13-14-10(12(17)18)9(11(16)15-13)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,17,18)(H,14,15,16)