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

Systemtic Name: 6-[2-chloranyl-4-(trifluoromethyl)phenyl]-9-(1-cyclopropylbut-2-ynyl)-8-ethyl-purine Openeye Name: 6-[2-chloro-4-(trifluoromethyl)phenyl]-9-(1-cyclopropylbut-2-ynyl)-8-ethyl-purine CAS Name: 6-[2-chloro-4-(trifluoromethyl)phenyl]-9-(1-cyclopropylbut-2-ynyl)-8-ethylpurine IUPAC Name: 6-[2-chloro-4-(trifluoromethyl)phenyl]-9-(1-cyclopropylbut-2-ynyl)-8-ethylpurine Traditional Name: 6-[2-chloro-4-(trifluoromethyl)phenyl]-9-(1-cyclopropylbut-2-ynyl)-8-ethyl-purine Formula: C21H18ClF3N4 MolecularWeight: 418.84263

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N=CN=C2N1C(C#CC)C3CC3)C4=C(C=C(C=C4)C(F)(F)F)Cl

Isomeric SMILES

CCC1=NC2=C(N=CN=C2N1C(C#CC)C3CC3)C4=C(C=C(C=C4)C(F)(F)F)Cl

InChI

InChI=1S/C21H18ClF3N4/c1-3-5-16(12-6-7-12)29-17(4-2)28-19-18(26-11-27-20(19)29)14-9-8-13(10-15(14)22)21(23,24)25/h8-12,16H,4,6-7H2,1-2H3