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

Systemtic Name: ethyl 4-azanyl-2-[1-oxidanylidene-1-[[2-(trifluoromethyl)phenyl]amino]butan-2-yl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[1-[[2-(trifluoromethyl)phenyl]carbamoyl]propylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[1-oxo-1-[2-(trifluoromethyl)anilino]butan-2-yl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[1-oxo-1-[2-(trifluoromethyl)anilino]butan-2-yl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[1-[[2-(trifluoromethyl)phenyl]carbamoyl]propylthio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H19F3N4O3S MolecularWeight: 428.42867

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(F)(F)F)SC2=NC=C(C(=N2)N)C(=O)OCC

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(F)(F)F)SC2=NC=C(C(=N2)N)C(=O)OCC

InChI

InChI=1S/C18H19F3N4O3S/c1-3-13(15(26)24-12-8-6-5-7-11(12)18(19,20)21)29-17-23-9-10(14(22)25-17)16(27)28-4-2/h5-9,13H,3-4H2,1-2H3,(H,24,26)(H2,22,23,25)