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

Systemtic Name: 2-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]hexanoic acid Openeye Name: 2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]hexanoic acid CAS Name: 2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]hexanoic acid IUPAC Name: 2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]hexanoic acid Traditional Name: 2-[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]hexanoic acid Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)SC1=NC(=O)C=C(N1)C2=CC=CC=C2

Isomeric SMILES

CCCCC(C(=O)O)SC1=NC(=O)C=C(N1)C2=CC=CC=C2

InChI

InChI=1S/C16H18N2O3S/c1-2-3-9-13(15(20)21)22-16-17-12(10-14(19)18-16)11-7-5-4-6-8-11/h4-8,10,13H,2-3,9H2,1H3,(H,20,21)(H,17,18,19)