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

Systemtic Name: 6-[2-chloranyl-4-(trifluoromethyl)phenyl]-8-ethyl-9-pent-1-yn-3-yl-purine Openeye Name: 6-[2-chloro-4-(trifluoromethyl)phenyl]-8-ethyl-9-(1-ethylprop-2-ynyl)purine CAS Name: 6-[2-chloro-4-(trifluoromethyl)phenyl]-8-ethyl-9-pent-1-yn-3-ylpurine IUPAC Name: 6-[2-chloro-4-(trifluoromethyl)phenyl]-8-ethyl-9-pent-1-yn-3-ylpurine Traditional Name: 6-[2-chloro-4-(trifluoromethyl)phenyl]-8-ethyl-9-(1-ethylprop-2-ynyl)purine Formula: C19H16ClF3N4 MolecularWeight: 392.80535

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClF3N4/c1-4-12(5-2)27-15(6-3)26-17-16(24-10-25-18(17)27)13-8-7-11(9-14(13)20)19(21,22)23/h1,7-10,12H,5-6H2,2-3H3