2-azanyl-3-[4-(1-ethyl-5-methyl-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[4-(1-ethyl-5-methyl-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[4-(1-ethyl-5-methyl-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[4-(1-ethyl-5-methyl-4-pyrazolyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]propanoic acid IUPAC Name: 2-amino-3-[4-(1-ethyl-5-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[4-(1-ethyl-5-methyl-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionic acid Formula: C14H16F3N5O2S MolecularWeight: 375.36935

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C14H16F3N5O2S/c1-3-22-7(2)8(5-19-22)10-4-11(14(15,16)17)21-13(20-10)25-6-9(18)12(23)24/h4-5,9H,3,6,18H2,1-2H3,(H,23,24)