2-[[4-oxidanylidene-6-phenyl-5-(phenylmethyl)-1,3-diazinan-2-yl]sulfanyl]hexanoic acid

Systemtic Name: 2-[[4-oxidanylidene-6-phenyl-5-(phenylmethyl)-1,3-diazinan-2-yl]sulfanyl]hexanoic acid Openeye Name: 2-(5-benzyl-4-oxo-6-phenyl-hexahydropyrimidin-2-yl)sulfanylhexanoic acid CAS Name: 2-[[4-oxo-6-phenyl-5-(phenylmethyl)-1,3-diazinan-2-yl]thio]hexanoic acid IUPAC Name: 2-[(5-benzyl-4-oxo-6-phenyl-1,3-diazinan-2-yl)sulfanyl]hexanoic acid Traditional Name: 2-[(5-benzyl-4-keto-6-phenyl-hexahydropyrimidin-2-yl)thio]hexanoic acid Formula: C23H28N2O3S MolecularWeight: 412.54502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)SC1NC(C(C(=O)N1)CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCC(C(=O)O)SC1NC(C(C(=O)N1)CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H28N2O3S/c1-2-3-14-19(22(27)28)29-23-24-20(17-12-8-5-9-13-17)18(21(26)25-23)15-16-10-6-4-7-11-16/h4-13,18-20,23-24H,2-3,14-15H2,1H3,(H,25,26)(H,27,28)