6-methyl-2-oxidanylidene-4-(phenylmethylsulfanyl)-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 6-methyl-2-oxidanylidene-4-(phenylmethylsulfanyl)-1H-pyrimidine-5-carboxylic acid Openeye Name: 4-benzylsulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 6-methyl-2-oxo-4-(phenylmethylthio)-1H-pyrimidine-5-carboxylic acid IUPAC Name: 4-benzylsulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 4-(benzylthio)-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCC2=CC=CC=C2)C(=O)O

InChI

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