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

Systemtic Name: 4-[2-[[5-(2-hydroxyethyl)-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethoxy]benzoic acid Openeye Name: 4-[2-[[5-(2-hydroxyethyl)-6-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanyl]ethoxy]benzoic acid CAS Name: 4-[2-[[5-(2-hydroxyethyl)-6-methyl-4-oxo-1H-pyrimidin-2-yl]thio]ethoxy]benzoic acid IUPAC Name: 4-[2-[[5-(2-hydroxyethyl)-6-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanyl]ethoxy]benzoic acid Traditional Name: 4-[2-[[5-(2-hydroxyethyl)-4-keto-6-methyl-1H-pyrimidin-2-yl]thio]ethoxy]benzoic acid Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCCOC2=CC=C(C=C2)C(=O)O)CCO

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCCOC2=CC=C(C=C2)C(=O)O)CCO

InChI

InChI=1S/C16H18N2O5S/c1-10-13(6-7-19)14(20)18-16(17-10)24-9-8-23-12-4-2-11(3-5-12)15(21)22/h2-5,19H,6-9H2,1H3,(H,21,22)(H,17,18,20)