6-[(E)-3,3,3-tris(fluoranyl)prop-1-enyl]sulfanyl-7H-purine

Systemtic Name: 6-[(E)-3,3,3-tris(fluoranyl)prop-1-enyl]sulfanyl-7H-purine Openeye Name: 6-[(E)-3,3,3-trifluoroprop-1-enyl]sulfanyl-7H-purine CAS Name: 6-[[(E)-3,3,3-trifluoroprop-1-enyl]thio]-7H-purine IUPAC Name: 6-[(E)-3,3,3-trifluoroprop-1-enyl]sulfanyl-7H-purine Traditional Name: 6-[[(E)-3,3,3-trifluoroprop-1-enyl]thio]-7H-purine Formula: C8H5F3N4S MolecularWeight: 246.21231

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC=N2)SC=CC(F)(F)F

Isomeric SMILES

C1=NC2=C(N1)C(=NC=N2)S/C=C/C(F)(F)F

InChI

InChI=1S/C8H5F3N4S/c9-8(10,11)1-2-16-7-5-6(13-3-12-5)14-4-15-7/h1-4H,(H,12,13,14,15)/b2-1+