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

Systemtic Name: 2-azanyl-3-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[4-cyclopropyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]propanoic acid IUPAC Name: 2-amino-3-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionic acid Formula: C11H12F3N3O2S MolecularWeight: 307.29209

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=NC(=N2)SCC(C(=O)O)N)C(F)(F)F

Isomeric SMILES

C1CC1C2=CC(=NC(=N2)SCC(C(=O)O)N)C(F)(F)F

InChI

InChI=1S/C11H12F3N3O2S/c12-11(13,14)8-3-7(5-1-2-5)16-10(17-8)20-4-6(15)9(18)19/h3,5-6H,1-2,4,15H2,(H,18,19)