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

Systemtic Name: 6-[2-chloranyl-4-(trifluoromethyl)phenyl]-8-ethyl-9-hept-2-yn-4-yl-purine Openeye Name: 6-[2-chloro-4-(trifluoromethyl)phenyl]-8-ethyl-9-(1-propylbut-2-ynyl)purine CAS Name: 6-[2-chloro-4-(trifluoromethyl)phenyl]-8-ethyl-9-hept-2-yn-4-ylpurine IUPAC Name: 6-[2-chloro-4-(trifluoromethyl)phenyl]-8-ethyl-9-hept-2-yn-4-ylpurine Traditional Name: 6-[2-chloro-4-(trifluoromethyl)phenyl]-8-ethyl-9-(1-propylbut-2-ynyl)purine Formula: C21H20ClF3N4 MolecularWeight: 420.85851

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClF3N4/c1-4-7-14(8-5-2)29-17(6-3)28-19-18(26-12-27-20(19)29)15-10-9-13(11-16(15)22)21(23,24)25/h9-12,14H,4,6-7H2,1-3H3