2-azanyl-3-[6-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]pyridin-2-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[6-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]pyridin-2-yl]propanoic acid Openeye Name: 2-amino-3-[6-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-2-pyridyl]propanoic acid CAS Name: 2-amino-3-[6-[[[4-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]-2-pyridinyl]propanoic acid IUPAC Name: 2-amino-3-[6-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]pyridin-2-yl]propanoic acid Traditional Name: 2-amino-3-[6-[[[4-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]-2-pyridyl]propionic acid Formula: C14H13F3N4O2S MolecularWeight: 358.33883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC(=C1)CSC2=NC=CC(=N2)C(F)(F)F)CC(C(=O)O)N

Isomeric SMILES

C1=CC(=NC(=C1)CSC2=NC=CC(=N2)C(F)(F)F)CC(C(=O)O)N

InChI

InChI=1S/C14H13F3N4O2S/c15-14(16,17)11-4-5-19-13(21-11)24-7-9-3-1-2-8(20-9)6-10(18)12(22)23/h1-5,10H,6-7,18H2,(H,22,23)