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

Systemtic Name: 7-but-2-ynyl-2-(2-methoxyphenoxy)-1-methyl-8-piperazin-1-yl-purin-6-one; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 7-but-2-ynyl-2-(2-methoxyphenoxy)-1-methyl-8-piperazin-1-yl-purin-6-one; 2,2,2-trifluoroacetic acid CAS Name: 7-but-2-ynyl-2-(2-methoxyphenoxy)-1-methyl-8-(1-piperazinyl)-6-purinone; 2,2,2-trifluoroacetic acid IUPAC Name: 7-but-2-ynyl-2-(2-methoxyphenoxy)-1-methyl-8-piperazin-1-ylpurin-6-one; 2,2,2-trifluoroacetic acid Traditional Name: 7-but-2-ynyl-2-(2-methoxyphenoxy)-1-methyl-8-piperazino-purin-6-one; 2,2,2-trifluoroacetic acid Formula: C23H25F3N6O5 MolecularWeight: 522.47701

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OC4=CC=CC=C4OC.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OC4=CC=CC=C4OC.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C21H24N6O3.C2HF3O2/c1-4-5-12-27-17-18(23-20(27)26-13-10-22-11-14-26)24-21(25(2)19(17)28)30-16-9-7-6-8-15(16)29-3;3-2(4,5)1(6)7/h6-9,22H,10-14H2,1-3H3;(H,6,7)