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

Systemtic Name: 2-[[5-[(2,4-dimethylphenyl)methyl]-4-oxidanylidene-6-phenyl-1,3-diazinan-2-yl]sulfanyl]hexanoic acid Openeye Name: 2-[5-[(2,4-dimethylphenyl)methyl]-4-oxo-6-phenyl-hexahydropyrimidin-2-yl]sulfanylhexanoic acid CAS Name: 2-[[5-[(2,4-dimethylphenyl)methyl]-4-oxo-6-phenyl-1,3-diazinan-2-yl]thio]hexanoic acid IUPAC Name: 2-[[5-[(2,4-dimethylphenyl)methyl]-4-oxo-6-phenyl-1,3-diazinan-2-yl]sulfanyl]hexanoic acid Traditional Name: 2-[[5-(2,4-dimethylbenzyl)-4-keto-6-phenyl-hexahydropyrimidin-2-yl]thio]hexanoic acid Formula: C25H32N2O3S MolecularWeight: 440.59818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O3S/c1-4-5-11-21(24(29)30)31-25-26-22(18-9-7-6-8-10-18)20(23(28)27-25)15-19-13-12-16(2)14-17(19)3/h6-10,12-14,20-22,25-26H,4-5,11,15H2,1-3H3,(H,27,28)(H,29,30)