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

Systemtic Name: 4-azanyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: 4-amino-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[3-(trifluoromethyl)phenyl]methylthio]-5-pyrimidinecarboxylate IUPAC Name: 4-amino-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[3-(trifluoromethyl)benzyl]thio]pyrimidine-5-carboxylate Formula: C13H9F3N3O2S- MolecularWeight: 328.28967

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10F3N3O2S/c14-13(15,16)8-3-1-2-7(4-8)6-22-12-18-5-9(11(20)21)10(17)19-12/h1-5H,6H2,(H,20,21)(H2,17,18,19)/p-1