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

Systemtic Name: 4-azanyl-2-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: 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-pyrimidinecarboxylate IUPAC Name: 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-carboxylate Formula: C14H10F3N4O3S- MolecularWeight: 371.31441

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CSC2=NC=C(C(=N2)N)C(=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CSC2=NC=C(C(=N2)N)C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C14H11F3N4O3S/c15-14(16,17)7-2-1-3-8(4-7)20-10(22)6-25-13-19-5-9(12(23)24)11(18)21-13/h1-5H,6H2,(H,20,22)(H,23,24)(H2,18,19,21)/p-1