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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)N=C(N1)SCCCOC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)C1=CC(=O)N=C(N1)SCCCOC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H20N2O4S/c1-11(2)14-10-15(20)19-17(18-14)24-9-3-8-23-13-6-4-12(5-7-13)16(21)22/h4-7,10-11H,3,8-9H2,1-2H3,(H,21,22)(H,18,19,20)