4-[(5-carboxyfuran-2-yl)methylsulfanyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(5-carboxyfuran-2-yl)methylsulfanyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(5-carboxy-2-furyl)methylsulfanyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(5-carboxy-2-furanyl)methylthio]-2,6-dimethyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(5-carboxyfuran-2-yl)methylsulfanyl]-2,6-dimethylpyrimidine-5-carboxylic acid Traditional Name: 4-[(5-carboxy-2-furyl)methylthio]-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C13H12N2O5S MolecularWeight: 308.30978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC2=CC=C(O2)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC2=CC=C(O2)C(=O)O)C(=O)O

InChI

InChI=1S/C13H12N2O5S/c1-6-10(13(18)19)11(15-7(2)14-6)21-5-8-3-4-9(20-8)12(16)17/h3-4H,5H2,1-2H3,(H,16,17)(H,18,19)