5-[(4,6-dimethylpyrimidin-2-yl)-sulfanyl-methyl]furan-2-carboxylic acid

Systemtic Name: 5-[(4,6-dimethylpyrimidin-2-yl)-sulfanyl-methyl]furan-2-carboxylic acid Openeye Name: 5-[(4,6-dimethylpyrimidin-2-yl)-sulfanyl-methyl]furan-2-carboxylic acid CAS Name: 5-[(4,6-dimethyl-2-pyrimidinyl)-mercaptomethyl]-2-furancarboxylic acid IUPAC Name: 5-[(4,6-dimethylpyrimidin-2-yl)-sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[(4,6-dimethylpyrimidin-2-yl)-mercapto-methyl]-2-furoic acid Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C2=CC=C(O2)C(=O)O)S)C

Isomeric SMILES

CC1=CC(=NC(=N1)C(C2=CC=C(O2)C(=O)O)S)C

InChI

InChI=1S/C12H12N2O3S/c1-6-5-7(2)14-11(13-6)10(18)8-3-4-9(17-8)12(15)16/h3-5,10,18H,1-2H3,(H,15,16)