6-azanyl-5-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]diazenyl]pyrimidine-2,4-diolate

Systemtic Name: 6-azanyl-5-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]diazenyl]pyrimidine-2,4-diolate Openeye Name: 6-amino-5-[4-(difluoromethylsulfanyl)phenyl]azo-pyrimidine-2,4-diolate CAS Name: 6-amino-5-[4-(difluoromethylthio)phenyl]azopyrimidine-2,4-diolate IUPAC Name: 6-amino-5-[[4-(difluoromethylsulfanyl)phenyl]diazenyl]pyrimidine-2,4-diolate Traditional Name: 6-amino-5-[4-(difluoromethylthio)phenyl]azo-pyrimidine-2,4-diolate Formula: C11H7F2N5O2S-2 MolecularWeight: 311.267386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2=C(N=C(N=C2[O-])[O-])N)SC(F)F

Isomeric SMILES

C1=CC(=CC=C1N=NC2=C(N=C(N=C2[O-])[O-])N)SC(F)F

InChI

InChI=1S/C11H9F2N5O2S/c12-10(13)21-6-3-1-5(2-4-6)17-18-7-8(14)15-11(20)16-9(7)19/h1-4,10H,(H4,14,15,16,19,20)/p-2