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

Systemtic Name: 2-azanyl-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]propanoic acid IUPAC Name: 2-amino-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionic acid Formula: C14H12F3N3O2S MolecularWeight: 343.32419

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(C(=O)O)N)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(C(=O)O)N)C(F)(F)F

InChI

InChI=1S/C14H12F3N3O2S/c15-14(16,17)11-6-10(8-4-2-1-3-5-8)19-13(20-11)23-7-9(18)12(21)22/h1-6,9H,7,18H2,(H,21,22)