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

Systemtic Name: 2-[[4-oxidanylidene-6-phenyl-5-(phenylmethyl)-1,3-diazinan-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-(5-benzyl-4-oxo-6-phenyl-hexahydropyrimidin-2-yl)sulfanylacetic acid CAS Name: 2-[[4-oxo-6-phenyl-5-(phenylmethyl)-1,3-diazinan-2-yl]thio]acetic acid IUPAC Name: 2-[(5-benzyl-4-oxo-6-phenyl-1,3-diazinan-2-yl)sulfanyl]acetic acid Traditional Name: 2-[(5-benzyl-4-keto-6-phenyl-hexahydropyrimidin-2-yl)thio]acetic acid Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(NC(NC2=O)SCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC2C(NC(NC2=O)SCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C19H20N2O3S/c22-16(23)12-25-19-20-17(14-9-5-2-6-10-14)15(18(24)21-19)11-13-7-3-1-4-8-13/h1-10,15,17,19-20H,11-12H2,(H,21,24)(H,22,23)