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

Systemtic Name: 3-[[5-[(2,5-dimethylphenyl)methyl]-4-oxidanylidene-6-phenyl-1,3-diazinan-2-yl]sulfanyl]propanoic acid Openeye Name: 3-[5-[(2,5-dimethylphenyl)methyl]-4-oxo-6-phenyl-hexahydropyrimidin-2-yl]sulfanylpropanoic acid CAS Name: 3-[[5-[(2,5-dimethylphenyl)methyl]-4-oxo-6-phenyl-1,3-diazinan-2-yl]thio]propanoic acid IUPAC Name: 3-[[5-[(2,5-dimethylphenyl)methyl]-4-oxo-6-phenyl-1,3-diazinan-2-yl]sulfanyl]propanoic acid Traditional Name: 3-[[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)SCCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3S/c1-14-8-9-15(2)17(12-14)13-18-20(16-6-4-3-5-7-16)23-22(24-21(18)27)28-11-10-19(25)26/h3-9,12,18,20,22-23H,10-11,13H2,1-2H3,(H,24,27)(H,25,26)