ethyl 4-azanyl-2-[2-oxidanylidene-1-phenyl-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-oxidanylidene-1-phenyl-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C22H19F3N4O3S MolecularWeight: 476.47147

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SC(C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SC(C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C22H19F3N4O3S/c1-2-32-20(31)16-12-27-21(29-18(16)26)33-17(13-7-4-3-5-8-13)19(30)28-15-10-6-9-14(11-15)22(23,24)25/h3-12,17H,2H2,1H3,(H,28,30)(H2,26,27,29)