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

Systemtic Name: 4-[3-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propoxy]benzoic acid Openeye Name: 4-[3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propoxy]benzoic acid CAS Name: 4-[3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]propoxy]benzoic acid IUPAC Name: 4-[3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propoxy]benzoic acid Traditional Name: 4-[3-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]propoxy]benzoic acid Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCCCOC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCCCOC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H20N2O4S/c1-2-4-13-11-15(20)19-17(18-13)24-10-3-9-23-14-7-5-12(6-8-14)16(21)22/h5-8,11H,2-4,9-10H2,1H3,(H,21,22)(H,18,19,20)