9-[3-[6-[[2-[4-(trifluoromethyl)phenyl]phenyl]carbonylamino]purin-9-yl]propyl]-N-[2,2,2-tris(fluoranyl)ethyl]fluorene-9-carboxamide

Systemtic Name: 9-[3-[6-[[2-[4-(trifluoromethyl)phenyl]phenyl]carbonylamino]purin-9-yl]propyl]-N-[2,2,2-tris(fluoranyl)ethyl]fluorene-9-carboxamide Openeye Name: N-(2,2,2-trifluoroethyl)-9-[3-[6-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]purin-9-yl]propyl]fluorene-9-carboxamide CAS Name: 9-[3-[6-[[oxo-[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]-9-purinyl]propyl]-N-(2,2,2-trifluoroethyl)-9-fluorenecarboxamide IUPAC Name: N-(2,2,2-trifluoroethyl)-9-[3-[6-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]purin-9-yl]propyl]fluorene-9-carboxamide Traditional Name: N-(2,2,2-trifluoroethyl)-9-[3-[6-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]purin-9-yl]propyl]fluorene-9-carboxamide Formula: C38H28F6N6O2 MolecularWeight: 714.658339

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=NC=NC4=C3N=CN4CCCC5(C6=CC=CC=C6C7=CC=CC=C75)C(=O)NCC(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=NC=NC4=C3N=CN4CCCC5(C6=CC=CC=C6C7=CC=CC=C75)C(=O)NCC(F)(F)F

InChI

InChI=1S/C38H28F6N6O2/c39-37(40,41)20-45-35(52)36(29-12-5-3-9-26(29)27-10-4-6-13-30(27)36)18-7-19-50-22-48-31-32(46-21-47-33(31)50)49-34(51)28-11-2-1-8-25(28)23-14-16-24(17-15-23)38(42,43)44/h1-6,8-17,21-22H,7,18-20H2,(H,45,52)(H,46,47,49,51)