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

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

C1=CC=C(C=C1)C2C(C(=O)NC(N2)SCCC(=O)O)CC3=CC=CC=C3Cl

Isomeric SMILES

C1=CC=C(C=C1)C2C(C(=O)NC(N2)SCCC(=O)O)CC3=CC=CC=C3Cl

InChI

InChI=1S/C20H21ClN2O3S/c21-16-9-5-4-8-14(16)12-15-18(13-6-2-1-3-7-13)22-20(23-19(15)26)27-11-10-17(24)25/h1-9,15,18,20,22H,10-12H2,(H,23,26)(H,24,25)