2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one CAS Name: 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-4-hydroxy-1H-pyrimidin-6-one IUPAC Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-4-hydroxy-1H-pyrimidin-6-one Formula: C11H5F3N4O6S MolecularWeight: 378.24081

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])SC2=NC(=CC(=O)N2)O)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])SC2=NC(=CC(=O)N2)O)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C11H5F3N4O6S/c12-11(13,14)4-1-5(17(21)22)9(6(2-4)18(23)24)25-10-15-7(19)3-8(20)16-10/h1-3H,(H2,15,16,19,20)