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

Systemtic Name: 2-[[5-[(4-chlorophenyl)methyl]-4-oxidanylidene-6-phenyl-1,3-diazinan-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[5-[(4-chlorophenyl)methyl]-4-oxo-6-phenyl-hexahydropyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[5-[(4-chlorophenyl)methyl]-4-oxo-6-phenyl-1,3-diazinan-2-yl]thio]acetic acid IUPAC Name: 2-[[5-[(4-chlorophenyl)methyl]-4-oxo-6-phenyl-1,3-diazinan-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(4-chlorobenzyl)-4-keto-6-phenyl-hexahydropyrimidin-2-yl]thio]acetic acid Formula: C19H19ClN2O3S MolecularWeight: 390.88376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C(=O)NC(N2)SCC(=O)O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2C(C(=O)NC(N2)SCC(=O)O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H19ClN2O3S/c20-14-8-6-12(7-9-14)10-15-17(13-4-2-1-3-5-13)21-19(22-18(15)25)26-11-16(23)24/h1-9,15,17,19,21H,10-11H2,(H,22,25)(H,23,24)