7-but-2-ynyl-1-methyl-2-[2,3,4,5,6-pentakis(fluoranyl)phenoxy]-8-piperazin-1-yl-purin-6-one

Systemtic Name: 7-but-2-ynyl-1-methyl-2-[2,3,4,5,6-pentakis(fluoranyl)phenoxy]-8-piperazin-1-yl-purin-6-one Openeye Name: 7-but-2-ynyl-1-methyl-2-(2,3,4,5,6-pentafluorophenoxy)-8-piperazin-1-yl-purin-6-one CAS Name: 7-but-2-ynyl-1-methyl-2-(2,3,4,5,6-pentafluorophenoxy)-8-(1-piperazinyl)-6-purinone IUPAC Name: 7-but-2-ynyl-1-methyl-2-(2,3,4,5,6-pentafluorophenoxy)-8-piperazin-1-ylpurin-6-one Traditional Name: 7-but-2-ynyl-1-methyl-2-(2,3,4,5,6-pentafluorophenoxy)-8-piperazino-purin-6-one Formula: C20H17F5N6O2 MolecularWeight: 468.379996

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OC4=C(C(=C(C(=C4F)F)F)F)F

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OC4=C(C(=C(C(=C4F)F)F)F)F

InChI

InChI=1S/C20H17F5N6O2/c1-3-4-7-31-15-17(27-19(31)30-8-5-26-6-9-30)28-20(29(2)18(15)32)33-16-13(24)11(22)10(21)12(23)14(16)25/h26H,5-9H2,1-2H3