7-but-2-ynyl-1-methyl-2-morpholin-4-yl-8-piperazin-1-yl-purin-6-one; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 7-but-2-ynyl-1-methyl-2-morpholin-4-yl-8-piperazin-1-yl-purin-6-one; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 7-but-2-ynyl-1-methyl-2-morpholino-8-piperazin-1-yl-purin-6-one; 2,2,2-trifluoroacetic acid CAS Name: 7-but-2-ynyl-1-methyl-2-(4-morpholinyl)-8-(1-piperazinyl)-6-purinone; 2,2,2-trifluoroacetic acid IUPAC Name: 7-but-2-ynyl-1-methyl-2-morpholin-4-yl-8-piperazin-1-ylpurin-6-one; 2,2,2-trifluoroacetic acid Traditional Name: 7-but-2-ynyl-1-methyl-2-morpholino-8-piperazino-purin-6-one; 2,2,2-trifluoroacetic acid Formula: C20H26F3N7O4 MolecularWeight: 485.46015

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C(N(C2=O)C)N3CCOCC3)N=C1N4CCNCC4.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC#CCN1C2=C(N=C(N(C2=O)C)N3CCOCC3)N=C1N4CCNCC4.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C18H25N7O2.C2HF3O2/c1-3-4-7-25-14-15(21-18(25)23-8-5-19-6-9-23)20-17(22(2)16(14)26)24-10-12-27-13-11-24;3-2(4,5)1(6)7/h19H,5-13H2,1-2H3;(H,6,7)