6-[[2-nitro-4-(trifluoromethyl)phenyl]sulfanylmethyl]-1H-pyrimidine-2,4-dione

Systemtic Name: 6-[[2-nitro-4-(trifluoromethyl)phenyl]sulfanylmethyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[[2-nitro-4-(trifluoromethyl)phenyl]sulfanylmethyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[[[2-nitro-4-(trifluoromethyl)phenyl]thio]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[[2-nitro-4-(trifluoromethyl)phenyl]sulfanylmethyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[[[2-nitro-4-(trifluoromethyl)phenyl]thio]methyl]uracil Formula: C12H8F3N3O4S MolecularWeight: 347.26983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])SCC2=CC(=O)NC(=O)N2

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])SCC2=CC(=O)NC(=O)N2

InChI

InChI=1S/C12H8F3N3O4S/c13-12(14,15)6-1-2-9(8(3-6)18(21)22)23-5-7-4-10(19)17-11(20)16-7/h1-4H,5H2,(H2,16,17,19,20)