(2S)-2-[[5-[(4-methoxyphenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]hexanoic acid

Systemtic Name: (2S)-2-[[5-[(4-methoxyphenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]hexanoic acid Openeye Name: (2S)-2-[[5-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanyl]hexanoic acid CAS Name: (2S)-2-[[5-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]thio]hexanoic acid IUPAC Name: (2S)-2-[[5-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanyl]hexanoic acid Traditional Name: (2S)-2-[(4-keto-6-methyl-5-p-anisyl-1H-pyrimidin-2-yl)thio]hexanoic acid Formula: C19H24N2O4S MolecularWeight: 376.46986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)SC1=NC(=O)C(=C(N1)C)CC2=CC=C(C=C2)OC

Isomeric SMILES

CCCC[C@@H](C(=O)O)SC1=NC(=O)C(=C(N1)C)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C19H24N2O4S/c1-4-5-6-16(18(23)24)26-19-20-12(2)15(17(22)21-19)11-13-7-9-14(25-3)10-8-13/h7-10,16H,4-6,11H2,1-3H3,(H,23,24)(H,20,21,22)/t16-/m0/s1