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

Systemtic Name: 2-azanyl-3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]thio]propanoic acid IUPAC Name: 2-amino-3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionic acid Formula: C12H10F3N3O2S2 MolecularWeight: 349.35191

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10F3N3O2S2/c13-12(14,15)9-4-7(8-2-1-3-21-8)17-11(18-9)22-5-6(16)10(19)20/h1-4,6H,5,16H2,(H,19,20)