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

Systemtic Name: 2-[[5-[(4-ethoxyphenyl)methyl]-4-oxidanylidene-6-phenyl-1,3-diazinan-2-yl]sulfanyl]hexanoic acid Openeye Name: 2-[5-[(4-ethoxyphenyl)methyl]-4-oxo-6-phenyl-hexahydropyrimidin-2-yl]sulfanylhexanoic acid CAS Name: 2-[[5-[(4-ethoxyphenyl)methyl]-4-oxo-6-phenyl-1,3-diazinan-2-yl]thio]hexanoic acid IUPAC Name: 2-[[5-[(4-ethoxyphenyl)methyl]-4-oxo-6-phenyl-1,3-diazinan-2-yl]sulfanyl]hexanoic acid Traditional Name: 2-[[5-(4-ethoxybenzyl)-4-keto-6-phenyl-hexahydropyrimidin-2-yl]thio]hexanoic acid Formula: C25H32N2O4S MolecularWeight: 456.59758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O4S/c1-3-5-11-21(24(29)30)32-25-26-22(18-9-7-6-8-10-18)20(23(28)27-25)16-17-12-14-19(15-13-17)31-4-2/h6-10,12-15,20-22,25-26H,3-5,11,16H2,1-2H3,(H,27,28)(H,29,30)