2-[2-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-[2-morpholino-5-(trifluoromethyl)anilino]-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[2-morpholino-5-(trifluoromethyl)anilino]ethyl]thio]pyrimidin-4-olate Formula: C17H16F3N4O3S- MolecularWeight: 413.39415

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CSC3=NC=CC(=N3)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CSC3=NC=CC(=N3)[O-]

InChI

InChI=1S/C17H17F3N4O3S/c18-17(19,20)11-1-2-13(24-5-7-27-8-6-24)12(9-11)22-15(26)10-28-16-21-4-3-14(25)23-16/h1-4,9H,5-8,10H2,(H,22,26)(H,21,23,25)/p-1