2-ethyl-6-piperazin-1-yl-N-[2,2,2-tris(fluoranyl)ethyl]purin-9-amine

Systemtic Name: 2-ethyl-6-piperazin-1-yl-N-[2,2,2-tris(fluoranyl)ethyl]purin-9-amine Openeye Name: 2-ethyl-6-piperazin-1-yl-N-(2,2,2-trifluoroethyl)purin-9-amine CAS Name: 2-ethyl-6-(1-piperazinyl)-N-(2,2,2-trifluoroethyl)-9-purinamine IUPAC Name: 2-ethyl-6-piperazin-1-yl-N-(2,2,2-trifluoroethyl)purin-9-amine Traditional Name: (2-ethyl-6-piperazino-purin-9-yl)-(2,2,2-trifluoroethyl)amine Formula: C13H18F3N7 MolecularWeight: 329.32413

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)N3CCNCC3)N=CN2NCC(F)(F)F

Isomeric SMILES

CCC1=NC2=C(C(=N1)N3CCNCC3)N=CN2NCC(F)(F)F

InChI

InChI=1S/C13H18F3N7/c1-2-9-20-11(22-5-3-17-4-6-22)10-12(21-9)23(8-18-10)19-7-13(14,15)16/h8,17,19H,2-7H2,1H3