N-(7-but-2-ynyl-2-chloranyl-8-oxidanylidene-6-piperazin-1-yl-purin-9-yl)ethanamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: N-(7-but-2-ynyl-2-chloranyl-8-oxidanylidene-6-piperazin-1-yl-purin-9-yl)ethanamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N-(7-but-2-ynyl-2-chloro-8-oxo-6-piperazin-1-yl-purin-9-yl)acetamide; 2,2,2-trifluoroacetic acid CAS Name: N-[7-but-2-ynyl-2-chloro-8-oxo-6-(1-piperazinyl)-9-purinyl]acetamide; 2,2,2-trifluoroacetic acid IUPAC Name: N-(7-but-2-ynyl-2-chloro-8-oxo-6-piperazin-1-ylpurin-9-yl)acetamide; 2,2,2-trifluoroacetic acid Traditional Name: N-(7-but-2-ynyl-2-chloro-8-keto-6-piperazino-purin-9-yl)acetamide; 2,2,2-trifluoroacetic acid Formula: C17H19ClF3N7O4 MolecularWeight: 477.82547

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C(N=C2N3CCNCC3)Cl)N(C1=O)NC(=O)C.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC#CCN1C2=C(N=C(N=C2N3CCNCC3)Cl)N(C1=O)NC(=O)C.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C15H18ClN7O2.C2HF3O2/c1-3-4-7-22-11-12(21-8-5-17-6-9-21)18-14(16)19-13(11)23(15(22)25)20-10(2)24;3-2(4,5)1(6)7/h17H,5-9H2,1-2H3,(H,20,24);(H,6,7)