6-[4-[bis(fluoranyl)methoxy]-2-chloranyl-phenyl]-8-ethyl-9-hex-4-yn-3-yl-purine

Systemtic Name: 6-[4-[bis(fluoranyl)methoxy]-2-chloranyl-phenyl]-8-ethyl-9-hex-4-yn-3-yl-purine Openeye Name: 6-[2-chloro-4-(difluoromethoxy)phenyl]-8-ethyl-9-(1-ethylbut-2-ynyl)purine CAS Name: 6-[2-chloro-4-(difluoromethoxy)phenyl]-8-ethyl-9-hex-4-yn-3-ylpurine IUPAC Name: 6-[2-chloro-4-(difluoromethoxy)phenyl]-8-ethyl-9-hex-4-yn-3-ylpurine Traditional Name: 6-[2-chloro-4-(difluoromethoxy)phenyl]-8-ethyl-9-(1-ethylbut-2-ynyl)purine Formula: C20H19ClF2N4O MolecularWeight: 404.840866

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N=CN=C2N1C(CC)C#CC)C3=C(C=C(C=C3)OC(F)F)Cl

Isomeric SMILES

CCC1=NC2=C(N=CN=C2N1C(CC)C#CC)C3=C(C=C(C=C3)OC(F)F)Cl

InChI

InChI=1S/C20H19ClF2N4O/c1-4-7-12(5-2)27-16(6-3)26-18-17(24-11-25-19(18)27)14-9-8-13(10-15(14)21)28-20(22)23/h8-12,20H,5-6H2,1-3H3