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

Systemtic Name: 2-azanyl-3-[4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[4-(1-methyl-4-pyrazolyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]propanoic acid IUPAC Name: 2-amino-3-[4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionic acid Formula: C12H12F3N5O2S MolecularWeight: 347.31619

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2=CC(=NC(=N2)SCC(C(=O)O)N)C(F)(F)F

Isomeric SMILES

CN1C=C(C=N1)C2=CC(=NC(=N2)SCC(C(=O)O)N)C(F)(F)F

InChI

InChI=1S/C12H12F3N5O2S/c1-20-4-6(3-17-20)8-2-9(12(13,14)15)19-11(18-8)23-5-7(16)10(21)22/h2-4,7H,5,16H2,1H3,(H,21,22)