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

Systemtic Name: 4-[2-[(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethoxy]benzoic acid Openeye Name: 4-[2-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]ethoxy]benzoic acid CAS Name: 4-[2-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)thio]ethoxy]benzoic acid IUPAC Name: 4-[2-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]ethoxy]benzoic acid Traditional Name: 4-[2-[(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)thio]ethoxy]benzoic acid Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCCOC2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1=C(NC(=NC1=O)SCCOC2=CC=C(C=C2)C(=O)O)C

InChI

InChI=1S/C15H16N2O4S/c1-9-10(2)16-15(17-13(9)18)22-8-7-21-12-5-3-11(4-6-12)14(19)20/h3-6H,7-8H2,1-2H3,(H,19,20)(H,16,17,18)