2-but-2-ynoxy-7-but-2-ynyl-1-methyl-8-piperazin-1-yl-purin-6-one; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-but-2-ynoxy-7-but-2-ynyl-1-methyl-8-piperazin-1-yl-purin-6-one; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-but-2-ynoxy-7-but-2-ynyl-1-methyl-8-piperazin-1-yl-purin-6-one; 2,2,2-trifluoroacetic acid CAS Name: 2-but-2-ynoxy-7-but-2-ynyl-1-methyl-8-(1-piperazinyl)-6-purinone; 2,2,2-trifluoroacetic acid IUPAC Name: 2-but-2-ynoxy-7-but-2-ynyl-1-methyl-8-piperazin-1-ylpurin-6-one; 2,2,2-trifluoroacetic acid Traditional Name: 2-but-2-ynoxy-7-but-2-ynyl-1-methyl-8-piperazino-purin-6-one; 2,2,2-trifluoroacetic acid Formula: C20H23F3N6O4 MolecularWeight: 468.42963

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OCC#CC.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OCC#CC.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C18H22N6O2.C2HF3O2/c1-4-6-10-24-14-15(20-17(24)23-11-8-19-9-12-23)21-18(22(3)16(14)25)26-13-7-5-2;3-2(4,5)1(6)7/h19H,8-13H2,1-3H3;(H,6,7)