2-azanyl-3-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[4-(4-chlorophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]propanoic acid IUPAC Name: 2-amino-3-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionic acid Formula: C14H11ClF3N3O2S MolecularWeight: 377.76925

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=NC(=N2)SCC(C(=O)O)N)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=NC(=N2)SCC(C(=O)O)N)C(F)(F)F)Cl

InChI

InChI=1S/C14H11ClF3N3O2S/c15-8-3-1-7(2-4-8)10-5-11(14(16,17)18)21-13(20-10)24-6-9(19)12(22)23/h1-5,9H,6,19H2,(H,22,23)