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

Systemtic Name: N-(7-but-2-ynyl-8-oxidanylidene-6-piperazin-1-yl-purin-9-yl)ethanamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N-(7-but-2-ynyl-8-oxo-6-piperazin-1-yl-purin-9-yl)acetamide; 2,2,2-trifluoroacetic acid CAS Name: N-[7-but-2-ynyl-8-oxo-6-(1-piperazinyl)-9-purinyl]acetamide; 2,2,2-trifluoroacetic acid IUPAC Name: N-(7-but-2-ynyl-8-oxo-6-piperazin-1-ylpurin-9-yl)acetamide; 2,2,2-trifluoroacetic acid Traditional Name: N-(7-but-2-ynyl-8-keto-6-piperazino-purin-9-yl)acetamide; 2,2,2-trifluoroacetic acid Formula: C17H20F3N7O4 MolecularWeight: 443.38041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N7O2.C2HF3O2/c1-3-4-7-21-12-13(20-8-5-16-6-9-20)17-10-18-14(12)22(15(21)24)19-11(2)23;3-2(4,5)1(6)7/h10,16H,5-9H2,1-2H3,(H,19,23);(H,6,7)