6-[2-chloranyl-4-(trifluoromethyl)phenyl]-8-ethyl-9-(1-phenylbut-2-ynyl)purine

Systemtic Name: 6-[2-chloranyl-4-(trifluoromethyl)phenyl]-8-ethyl-9-(1-phenylbut-2-ynyl)purine Openeye Name: 6-[2-chloro-4-(trifluoromethyl)phenyl]-8-ethyl-9-(1-phenylbut-2-ynyl)purine CAS Name: 6-[2-chloro-4-(trifluoromethyl)phenyl]-8-ethyl-9-(1-phenylbut-2-ynyl)purine IUPAC Name: 6-[2-chloro-4-(trifluoromethyl)phenyl]-8-ethyl-9-(1-phenylbut-2-ynyl)purine Traditional Name: 6-[2-chloro-4-(trifluoromethyl)phenyl]-8-ethyl-9-(1-phenylbut-2-ynyl)purine Formula: C24H18ClF3N4 MolecularWeight: 454.87473

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N=CN=C2N1C(C#CC)C3=CC=CC=C3)C4=C(C=C(C=C4)C(F)(F)F)Cl

Isomeric SMILES

CCC1=NC2=C(N=CN=C2N1C(C#CC)C3=CC=CC=C3)C4=C(C=C(C=C4)C(F)(F)F)Cl

InChI

InChI=1S/C24H18ClF3N4/c1-3-8-19(15-9-6-5-7-10-15)32-20(4-2)31-22-21(29-14-30-23(22)32)17-12-11-16(13-18(17)25)24(26,27)28/h5-7,9-14,19H,4H2,1-2H3