6-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1H-pyrimidine-2,4-dione

Systemtic Name: 6-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[[[3-(trifluoromethyl)phenyl]methylthio]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[[[3-(trifluoromethyl)benzyl]thio]methyl]uracil Formula: C13H11F3N2O2S MolecularWeight: 316.29885

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CSCC2=CC(=O)NC(=O)N2

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CSCC2=CC(=O)NC(=O)N2

InChI

InChI=1S/C13H11F3N2O2S/c14-13(15,16)9-3-1-2-8(4-9)6-21-7-10-5-11(19)18-12(20)17-10/h1-5H,6-7H2,(H2,17,18,19,20)