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

Systemtic Name: 6-[[4-oxidanylidene-6-(1-phenylpropyl)-1H-pyrimidin-2-yl]sulfanyl]hexanoic acid Openeye Name: 6-[[4-oxo-6-(1-phenylpropyl)-1H-pyrimidin-2-yl]sulfanyl]hexanoic acid CAS Name: 6-[[4-oxo-6-(1-phenylpropyl)-1H-pyrimidin-2-yl]thio]hexanoic acid IUPAC Name: 6-[[4-oxo-6-(1-phenylpropyl)-1H-pyrimidin-2-yl]sulfanyl]hexanoic acid Traditional Name: 6-[[4-keto-6-(1-phenylpropyl)-1H-pyrimidin-2-yl]thio]hexanoic acid Formula: C19H24N2O3S MolecularWeight: 360.47046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O3S/c1-2-15(14-9-5-3-6-10-14)16-13-17(22)21-19(20-16)25-12-8-4-7-11-18(23)24/h3,5-6,9-10,13,15H,2,4,7-8,11-12H2,1H3,(H,23,24)(H,20,21,22)