3-[[5-(2-hydroxyethyl)-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 3-[[5-(2-hydroxyethyl)-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[5-(2-hydroxyethyl)-6-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[5-(2-hydroxyethyl)-6-methyl-4-oxo-1H-pyrimidin-2-yl]thio]methyl]benzoic acid IUPAC Name: 3-[[5-(2-hydroxyethyl)-6-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[5-(2-hydroxyethyl)-4-keto-6-methyl-1H-pyrimidin-2-yl]thio]methyl]benzoic acid Formula: C15H16N2O4S MolecularWeight: 320.36354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=CC(=C2)C(=O)O)CCO

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC(=C2)C(=O)O)CCO

InChI

InChI=1S/C15H16N2O4S/c1-9-12(5-6-18)13(19)17-15(16-9)22-8-10-3-2-4-11(7-10)14(20)21/h2-4,7,18H,5-6,8H2,1H3,(H,20,21)(H,16,17,19)