2-[2-oxidanylidene-2-[[4-(trifluoromethyloxy)phenyl]amino]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-oxidanylidene-2-[[4-(trifluoromethyloxy)phenyl]amino]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[4-(trifluoromethoxy)anilino]ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C16H15F3N3O3S- MolecularWeight: 386.36881

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)OC(F)(F)F)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)OC(F)(F)F)[O-]

InChI

InChI=1S/C16H16F3N3O3S/c1-2-3-11-8-13(23)22-15(21-11)26-9-14(24)20-10-4-6-12(7-5-10)25-16(17,18)19/h4-8H,2-3,9H2,1H3,(H,20,24)(H,21,22,23)/p-1