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

Systemtic Name: ethyl 4-azanyl-2-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-[3-(trifluoromethyl)anilino]ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H15F3N4O3S MolecularWeight: 400.37551

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C16H15F3N4O3S/c1-2-26-14(25)11-7-21-15(23-13(11)20)27-8-12(24)22-10-5-3-4-9(6-10)16(17,18)19/h3-7H,2,8H2,1H3,(H,22,24)(H2,20,21,23)