8-[(E)-1,1,1-tris(fluoranyl)-6-methyl-hept-2-en-4-yn-2-yl]sulfanyl-3,7-dihydropurin-6-one

Systemtic Name: 8-[(E)-1,1,1-tris(fluoranyl)-6-methyl-hept-2-en-4-yn-2-yl]sulfanyl-3,7-dihydropurin-6-one Openeye Name: 8-[(E)-5-methyl-1-(trifluoromethyl)hex-1-en-3-ynyl]sulfanyl-3,7-dihydropurin-6-one CAS Name: 8-[[(E)-1,1,1-trifluoro-6-methylhept-2-en-4-yn-2-yl]thio]-3,7-dihydropurin-6-one IUPAC Name: 8-[(E)-1,1,1-trifluoro-6-methylhept-2-en-4-yn-2-yl]sulfanyl-3,7-dihydropurin-6-one Traditional Name: 8-[[(E)-5-methyl-1-(trifluoromethyl)hex-1-en-3-ynyl]thio]-3,7-dihydropurin-6-one Formula: C13H11F3N4OS MolecularWeight: 328.31285

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C#CC=C(C(F)(F)F)SC1=NC2=C(N1)C(=O)N=CN2

Isomeric SMILES

CC(C)C#C/C=C(\C(F)(F)F)/SC1=NC2=C(N1)C(=O)N=CN2

InChI

InChI=1S/C13H11F3N4OS/c1-7(2)4-3-5-8(13(14,15)16)22-12-19-9-10(20-12)17-6-18-11(9)21/h5-7H,1-2H3,(H2,17,18,19,20,21)/b8-5+