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

Systemtic Name: 6-[2-chloranyl-4-(trifluoromethyl)phenyl]-9-(1-cyclopropylprop-2-enyl)-8-ethyl-purine Openeye Name: 6-[2-chloro-4-(trifluoromethyl)phenyl]-9-(1-cyclopropylallyl)-8-ethyl-purine CAS Name: 6-[2-chloro-4-(trifluoromethyl)phenyl]-9-(1-cyclopropylprop-2-enyl)-8-ethylpurine IUPAC Name: 6-[2-chloro-4-(trifluoromethyl)phenyl]-9-(1-cyclopropylprop-2-enyl)-8-ethylpurine Traditional Name: 6-[2-chloro-4-(trifluoromethyl)phenyl]-9-(1-cyclopropylallyl)-8-ethyl-purine Formula: C20H18ClF3N4 MolecularWeight: 406.83193

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClF3N4/c1-3-15(11-5-6-11)28-16(4-2)27-18-17(25-10-26-19(18)28)13-8-7-12(9-14(13)21)20(22,23)24/h3,7-11,15H,1,4-6H2,2H3