2-azanyl-3-[4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[4-(1-ethyl-4-pyrazolyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]propanoic acid IUPAC Name: 2-amino-3-[4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionic acid Formula: C13H14F3N5O2S MolecularWeight: 361.34277

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C2=CC(=NC(=N2)SCC(C(=O)O)N)C(F)(F)F

Isomeric SMILES

CCN1C=C(C=N1)C2=CC(=NC(=N2)SCC(C(=O)O)N)C(F)(F)F

InChI

InChI=1S/C13H14F3N5O2S/c1-2-21-5-7(4-18-21)9-3-10(13(14,15)16)20-12(19-9)24-6-8(17)11(22)23/h3-5,8H,2,6,17H2,1H3,(H,22,23)