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

Systemtic Name: 7-but-2-ynyl-2-(2-ethoxyethylamino)-1-methyl-8-piperazin-1-yl-purin-6-one; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 7-but-2-ynyl-2-(2-ethoxyethylamino)-1-methyl-8-piperazin-1-yl-purin-6-one; 2,2,2-trifluoroacetic acid CAS Name: 7-but-2-ynyl-2-(2-ethoxyethylamino)-1-methyl-8-(1-piperazinyl)-6-purinone; 2,2,2-trifluoroacetic acid IUPAC Name: 7-but-2-ynyl-2-(2-ethoxyethylamino)-1-methyl-8-piperazin-1-ylpurin-6-one; 2,2,2-trifluoroacetic acid Traditional Name: 7-but-2-ynyl-2-(2-ethoxyethylamino)-1-methyl-8-piperazino-purin-6-one; 2,2,2-trifluoroacetic acid Formula: C20H28F3N7O4 MolecularWeight: 487.47603

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCNC1=NC2=C(C(=O)N1C)N(C(=N2)N3CCNCC3)CC#CC.C(=O)(C(F)(F)F)O

Isomeric SMILES

CCOCCNC1=NC2=C(C(=O)N1C)N(C(=N2)N3CCNCC3)CC#CC.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C18H27N7O2.C2HF3O2/c1-4-6-10-25-14-15(22-18(25)24-11-7-19-8-12-24)21-17(23(3)16(14)26)20-9-13-27-5-2;3-2(4,5)1(6)7/h19H,5,7-13H2,1-3H3,(H,20,21);(H,6,7)