(2S)-2-[(4-oxidanylidene-6-phenyl-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]hexanoic acid

Systemtic Name: (2S)-2-[(4-oxidanylidene-6-phenyl-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]hexanoic acid Openeye Name: (2S)-2-[(5-allyl-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]hexanoic acid CAS Name: (2S)-2-[(4-oxo-6-phenyl-5-prop-2-enyl-1H-pyrimidin-2-yl)thio]hexanoic acid IUPAC Name: (2S)-2-[(4-oxo-6-phenyl-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]hexanoic acid Traditional Name: (2S)-2-[(5-allyl-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]hexanoic acid Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC[C@@H](C(=O)O)SC1=NC(=O)C(=C(N1)C2=CC=CC=C2)CC=C

InChI

InChI=1S/C19H22N2O3S/c1-3-5-12-15(18(23)24)25-19-20-16(13-10-7-6-8-11-13)14(9-4-2)17(22)21-19/h4,6-8,10-11,15H,2-3,5,9,12H2,1H3,(H,23,24)(H,20,21,22)/t15-/m0/s1