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

Systemtic Name: 4-[3-[[5-(2-hydroxyethyl)-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]propoxy]benzoic acid Openeye Name: 4-[3-[[5-(2-hydroxyethyl)-6-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propoxy]benzoic acid CAS Name: 4-[3-[[5-(2-hydroxyethyl)-6-methyl-4-oxo-1H-pyrimidin-2-yl]thio]propoxy]benzoic acid IUPAC Name: 4-[3-[[5-(2-hydroxyethyl)-6-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propoxy]benzoic acid Traditional Name: 4-[3-[[5-(2-hydroxyethyl)-4-keto-6-methyl-1H-pyrimidin-2-yl]thio]propoxy]benzoic acid Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCCCOC2=CC=C(C=C2)C(=O)O)CCO

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCCCOC2=CC=C(C=C2)C(=O)O)CCO

InChI

InChI=1S/C17H20N2O5S/c1-11-14(7-8-20)15(21)19-17(18-11)25-10-2-9-24-13-5-3-12(4-6-13)16(22)23/h3-6,20H,2,7-10H2,1H3,(H,22,23)(H,18,19,21)