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

Systemtic Name: (2S)-2-[[5-(naphthalen-1-ylmethyl)-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl]sulfanyl]hexanoic acid Openeye Name: (2S)-2-[[5-(1-naphthylmethyl)-4-oxo-6-phenyl-1H-pyrimidin-2-yl]sulfanyl]hexanoic acid CAS Name: (2S)-2-[[5-(1-naphthalenylmethyl)-4-oxo-6-phenyl-1H-pyrimidin-2-yl]thio]hexanoic acid IUPAC Name: (2S)-2-[[5-(naphthalen-1-ylmethyl)-4-oxo-6-phenyl-1H-pyrimidin-2-yl]sulfanyl]hexanoic acid Traditional Name: (2S)-2-[[4-keto-5-(1-naphthylmethyl)-6-phenyl-1H-pyrimidin-2-yl]thio]hexanoic acid Formula: C27H26N2O3S MolecularWeight: 458.57194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)SC1=NC(=O)C(=C(N1)C2=CC=CC=C2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCC[C@@H](C(=O)O)SC1=NC(=O)C(=C(N1)C2=CC=CC=C2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C27H26N2O3S/c1-2-3-16-23(26(31)32)33-27-28-24(19-11-5-4-6-12-19)22(25(30)29-27)17-20-14-9-13-18-10-7-8-15-21(18)20/h4-15,23H,2-3,16-17H2,1H3,(H,31,32)(H,28,29,30)/t23-/m0/s1