2-(7-but-2-ynyl-8-oxidanylidene-6-piperazin-1-yl-9-prop-2-enyl-purin-2-yl)oxybenzamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-(7-but-2-ynyl-8-oxidanylidene-6-piperazin-1-yl-9-prop-2-enyl-purin-2-yl)oxybenzamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-(9-allyl-7-but-2-ynyl-8-oxo-6-piperazin-1-yl-purin-2-yl)oxybenzamide; 2,2,2-trifluoroacetic acid CAS Name: 2-[[7-but-2-ynyl-8-oxo-6-(1-piperazinyl)-9-prop-2-enyl-2-purinyl]oxy]benzamide; 2,2,2-trifluoroacetic acid IUPAC Name: 2-(7-but-2-ynyl-8-oxo-6-piperazin-1-yl-9-prop-2-enylpurin-2-yl)oxybenzamide; 2,2,2-trifluoroacetic acid Traditional Name: 2-(9-allyl-7-but-2-ynyl-8-keto-6-piperazino-purin-2-yl)oxybenzamide; 2,2,2-trifluoroacetic acid Formula: C25H26F3N7O5 MolecularWeight: 561.51305

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C(N=C2N3CCNCC3)OC4=CC=CC=C4C(=O)N)N(C1=O)CC=C.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC#CCN1C2=C(N=C(N=C2N3CCNCC3)OC4=CC=CC=C4C(=O)N)N(C1=O)CC=C.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C23H25N7O3.C2HF3O2/c1-3-5-13-29-18-20(28-14-10-25-11-15-28)26-22(27-21(18)30(12-4-2)23(29)32)33-17-9-7-6-8-16(17)19(24)31;3-2(4,5)1(6)7/h4,6-9,25H,2,10-15H2,1H3,(H2,24,31);(H,6,7)