8-[(Z)-3,3,3-tris(fluoranyl)prop-1-enyl]sulfanyl-3,7-dihydropurin-6-one

Systemtic Name: 8-[(Z)-3,3,3-tris(fluoranyl)prop-1-enyl]sulfanyl-3,7-dihydropurin-6-one Openeye Name: 8-[(Z)-3,3,3-trifluoroprop-1-enyl]sulfanyl-3,7-dihydropurin-6-one CAS Name: 8-[[(Z)-3,3,3-trifluoroprop-1-enyl]thio]-3,7-dihydropurin-6-one IUPAC Name: 8-[(Z)-3,3,3-trifluoroprop-1-enyl]sulfanyl-3,7-dihydropurin-6-one Traditional Name: 8-[[(Z)-3,3,3-trifluoroprop-1-enyl]thio]-3,7-dihydropurin-6-one Formula: C8H5F3N4OS MolecularWeight: 262.21171

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=O)C2=C(N1)N=C(N2)SC=CC(F)(F)F

Isomeric SMILES

C1=NC(=O)C2=C(N1)N=C(N2)S/C=C\C(F)(F)F

InChI

InChI=1S/C8H5F3N4OS/c9-8(10,11)1-2-17-7-14-4-5(15-7)12-3-13-6(4)16/h1-3H,(H2,12,13,14,15,16)/b2-1-