3-[3-(2-hydroxyethyloxymethyl)-5-methyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]sulfanylbenzoic acid

Systemtic Name: 3-[3-(2-hydroxyethyloxymethyl)-5-methyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]sulfanylbenzoic acid Openeye Name: 3-[3-(2-hydroxyethoxymethyl)-5-methyl-2,6-dioxo-pyrimidin-4-yl]sulfanylbenzoic acid CAS Name: 3-[[3-(2-hydroxyethoxymethyl)-5-methyl-2,6-dioxo-4-pyrimidinyl]thio]benzoic acid IUPAC Name: 3-[3-(2-hydroxyethoxymethyl)-5-methyl-2,6-dioxopyrimidin-4-yl]sulfanylbenzoic acid Traditional Name: 3-[[3-(2-hydroxyethoxymethyl)-2,6-diketo-5-methyl-pyrimidin-4-yl]thio]benzoic acid Formula: C15H16N2O6S MolecularWeight: 352.36234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=O)NC1=O)COCCO)SC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1=C(N(C(=O)NC1=O)COCCO)SC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C15H16N2O6S/c1-9-12(19)16-15(22)17(8-23-6-5-18)13(9)24-11-4-2-3-10(7-11)14(20)21/h2-4,7,18H,5-6,8H2,1H3,(H,20,21)(H,16,19,22)