6-[[2,4-bis(trifluoromethyl)phenyl]-dicyclopropyl-methyl]-8-ethyl-7H-purine

Systemtic Name: 6-[[2,4-bis(trifluoromethyl)phenyl]-dicyclopropyl-methyl]-8-ethyl-7H-purine Openeye Name: 6-[[2,4-bis(trifluoromethyl)phenyl]-dicyclopropyl-methyl]-8-ethyl-7H-purine CAS Name: 6-[[2,4-bis(trifluoromethyl)phenyl]-dicyclopropylmethyl]-8-ethyl-7H-purine IUPAC Name: 6-[[2,4-bis(trifluoromethyl)phenyl]-dicyclopropylmethyl]-8-ethyl-7H-purine Traditional Name: 6-[[2,4-bis(trifluoromethyl)phenyl]-dicyclopropyl-methyl]-8-ethyl-7H-purine Formula: C22H20F6N4 MolecularWeight: 454.411419

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=NC=NC(=C2N1)C(C3CC3)(C4CC4)C5=C(C=C(C=C5)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCC1=NC2=NC=NC(=C2N1)C(C3CC3)(C4CC4)C5=C(C=C(C=C5)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C22H20F6N4/c1-2-16-31-17-18(29-10-30-19(17)32-16)20(11-3-4-11,12-5-6-12)14-8-7-13(21(23,24)25)9-15(14)22(26,27)28/h7-12H,2-6H2,1H3,(H,29,30,31,32)