ethyl 4-azanyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[3-(trifluoromethyl)phenyl]methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[3-(trifluoromethyl)benzyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C15H14F3N3O2S MolecularWeight: 357.35077

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C15H14F3N3O2S/c1-2-23-13(22)11-7-20-14(21-12(11)19)24-8-9-4-3-5-10(6-9)15(16,17)18/h3-7H,2,8H2,1H3,(H2,19,20,21)