(2S)-2-[[4-oxidanidyl-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]hexanoate

Systemtic Name: (2S)-2-[[4-oxidanidyl-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]hexanoate Openeye Name: (2S)-2-[(5-benzyl-4-oxido-6-oxo-1H-pyrimidin-2-yl)sulfanyl]hexanoate CAS Name: (2S)-2-[[4-oxido-6-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]hexanoate IUPAC Name: (2S)-2-[(5-benzyl-4-oxido-6-oxo-1H-pyrimidin-2-yl)sulfanyl]hexanoate Traditional Name: (2S)-2-[(5-benzyl-6-keto-4-oxido-1H-pyrimidin-2-yl)thio]hexanoate Formula: C17H18N2O4S-2 MolecularWeight: 346.40082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)[O-])SC1=NC(=C(C(=O)N1)CC2=CC=CC=C2)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4S/c1-2-3-9-13(16(22)23)24-17-18-14(20)12(15(21)19-17)10-11-7-5-4-6-8-11/h4-8,13H,2-3,9-10H2,1H3,(H,22,23)(H2,18,19,20,21)/p-2/t13-/m0/s1