(2R)-2-[1,4-dimethyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanylhexanoic acid

Systemtic Name: (2R)-2-[1,4-dimethyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanylhexanoic acid Openeye Name: (2R)-2-(5-benzyl-1,4-dimethyl-6-oxo-pyrimidin-2-yl)sulfanylhexanoic acid CAS Name: (2R)-2-[[1,4-dimethyl-6-oxo-5-(phenylmethyl)-2-pyrimidinyl]thio]hexanoic acid IUPAC Name: (2R)-2-(5-benzyl-1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylhexanoic acid Traditional Name: (2R)-2-[(5-benzyl-6-keto-1,4-dimethyl-pyrimidin-2-yl)thio]hexanoic acid Formula: C19H24N2O3S MolecularWeight: 360.47046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)SC1=NC(=C(C(=O)N1C)CC2=CC=CC=C2)C

Isomeric SMILES

CCCC[C@H](C(=O)O)SC1=NC(=C(C(=O)N1C)CC2=CC=CC=C2)C

InChI

InChI=1S/C19H24N2O3S/c1-4-5-11-16(18(23)24)25-19-20-13(2)15(17(22)21(19)3)12-14-9-7-6-8-10-14/h6-10,16H,4-5,11-12H2,1-3H3,(H,23,24)/t16-/m1/s1