6-[2-chloranyl-4-(trifluoromethyl)phenyl]-8-ethyl-9-hex-1-yn-3-yl-purine

Systemtic Name: 6-[2-chloranyl-4-(trifluoromethyl)phenyl]-8-ethyl-9-hex-1-yn-3-yl-purine Openeye Name: 6-[2-chloro-4-(trifluoromethyl)phenyl]-8-ethyl-9-(1-ethynylbutyl)purine CAS Name: 6-[2-chloro-4-(trifluoromethyl)phenyl]-8-ethyl-9-hex-1-yn-3-ylpurine IUPAC Name: 6-[2-chloro-4-(trifluoromethyl)phenyl]-8-ethyl-9-hex-1-yn-3-ylpurine Traditional Name: 6-[2-chloro-4-(trifluoromethyl)phenyl]-8-ethyl-9-(1-propylprop-2-ynyl)purine Formula: C20H18ClF3N4 MolecularWeight: 406.83193

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C#C)N1C(=NC2=C(N=CN=C21)C3=C(C=C(C=C3)C(F)(F)F)Cl)CC

Isomeric SMILES

CCCC(C#C)N1C(=NC2=C(N=CN=C21)C3=C(C=C(C=C3)C(F)(F)F)Cl)CC

InChI

InChI=1S/C20H18ClF3N4/c1-4-7-13(5-2)28-16(6-3)27-18-17(25-11-26-19(18)28)14-9-8-12(10-15(14)21)20(22,23)24/h2,8-11,13H,4,6-7H2,1,3H3