6-[[4-oxidanylidene-6-(1-phenylethyl)-1H-pyrimidin-2-yl]sulfanyl]hexanoic acid

Systemtic Name: 6-[[4-oxidanylidene-6-(1-phenylethyl)-1H-pyrimidin-2-yl]sulfanyl]hexanoic acid Openeye Name: 6-[[4-oxo-6-(1-phenylethyl)-1H-pyrimidin-2-yl]sulfanyl]hexanoic acid CAS Name: 6-[[4-oxo-6-(1-phenylethyl)-1H-pyrimidin-2-yl]thio]hexanoic acid IUPAC Name: 6-[[4-oxo-6-(1-phenylethyl)-1H-pyrimidin-2-yl]sulfanyl]hexanoic acid Traditional Name: 6-[[4-keto-6-(1-phenylethyl)-1H-pyrimidin-2-yl]thio]hexanoic acid Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C2=CC(=O)N=C(N2)SCCCCCC(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)C2=CC(=O)N=C(N2)SCCCCCC(=O)O

InChI

InChI=1S/C18H22N2O3S/c1-13(14-8-4-2-5-9-14)15-12-16(21)20-18(19-15)24-11-7-3-6-10-17(22)23/h2,4-5,8-9,12-13H,3,6-7,10-11H2,1H3,(H,22,23)(H,19,20,21)