6-[3,4,4-tris(fluoranyl)but-3-enylsulfanyl]-7H-purine

Systemtic Name: 6-[3,4,4-tris(fluoranyl)but-3-enylsulfanyl]-7H-purine Openeye Name: 6-(3,4,4-trifluorobut-3-enylsulfanyl)-7H-purine CAS Name: 6-(3,4,4-trifluorobut-3-enylthio)-7H-purine IUPAC Name: 6-(3,4,4-trifluorobut-3-enylsulfanyl)-7H-purine Traditional Name: 6-(3,4,4-trifluorobut-3-enylthio)-7H-purine Formula: C9H7F3N4S MolecularWeight: 260.23889

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC=N2)SCCC(=C(F)F)F

Isomeric SMILES

C1=NC2=C(N1)C(=NC=N2)SCCC(=C(F)F)F

InChI

InChI=1S/C9H7F3N4S/c10-5(7(11)12)1-2-17-9-6-8(14-3-13-6)15-4-16-9/h3-4H,1-2H2,(H,13,14,15,16)