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

Systemtic Name: 2-[[5-[(2-chlorophenyl)methyl]-4-oxidanylidene-6-phenyl-1,3-diazinan-2-yl]sulfanyl]propanoic acid Openeye Name: 2-[5-[(2-chlorophenyl)methyl]-4-oxo-6-phenyl-hexahydropyrimidin-2-yl]sulfanylpropanoic acid CAS Name: 2-[[5-[(2-chlorophenyl)methyl]-4-oxo-6-phenyl-1,3-diazinan-2-yl]thio]propanoic acid IUPAC Name: 2-[[5-[(2-chlorophenyl)methyl]-4-oxo-6-phenyl-1,3-diazinan-2-yl]sulfanyl]propanoic acid Traditional Name: 2-[[5-(2-chlorobenzyl)-4-keto-6-phenyl-hexahydropyrimidin-2-yl]thio]propionic acid Formula: C20H21ClN2O3S MolecularWeight: 404.91034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1NC(C(C(=O)N1)CC2=CC=CC=C2Cl)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)O)SC1NC(C(C(=O)N1)CC2=CC=CC=C2Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H21ClN2O3S/c1-12(19(25)26)27-20-22-17(13-7-3-2-4-8-13)15(18(24)23-20)11-14-9-5-6-10-16(14)21/h2-10,12,15,17,20,22H,11H2,1H3,(H,23,24)(H,25,26)