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

Systemtic Name: 2-[[5-[(2,5-dimethylphenyl)methyl]-4-oxidanylidene-6-phenyl-1,3-diazinan-2-yl]sulfanyl]propanoic acid Openeye Name: 2-[5-[(2,5-dimethylphenyl)methyl]-4-oxo-6-phenyl-hexahydropyrimidin-2-yl]sulfanylpropanoic acid CAS Name: 2-[[5-[(2,5-dimethylphenyl)methyl]-4-oxo-6-phenyl-1,3-diazinan-2-yl]thio]propanoic acid IUPAC Name: 2-[[5-[(2,5-dimethylphenyl)methyl]-4-oxo-6-phenyl-1,3-diazinan-2-yl]sulfanyl]propanoic acid Traditional Name: 2-[[5-(2,5-dimethylbenzyl)-4-keto-6-phenyl-hexahydropyrimidin-2-yl]thio]propionic acid Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CC2C(NC(NC2=O)SC(C)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)CC2C(NC(NC2=O)SC(C)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O3S/c1-13-9-10-14(2)17(11-13)12-18-19(16-7-5-4-6-8-16)23-22(24-20(18)25)28-15(3)21(26)27/h4-11,15,18-19,22-23H,12H2,1-3H3,(H,24,25)(H,26,27)