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

Systemtic Name: 7-but-2-ynyl-2-cyclopentyloxy-1-methyl-8-piperazin-1-yl-purin-6-one; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 7-but-2-ynyl-2-(cyclopentoxy)-1-methyl-8-piperazin-1-yl-purin-6-one; 2,2,2-trifluoroacetic acid CAS Name: 7-but-2-ynyl-2-cyclopentyloxy-1-methyl-8-(1-piperazinyl)-6-purinone; 2,2,2-trifluoroacetic acid IUPAC Name: 7-but-2-ynyl-2-cyclopentyloxy-1-methyl-8-piperazin-1-ylpurin-6-one; 2,2,2-trifluoroacetic acid Traditional Name: 7-but-2-ynyl-2-(cyclopentoxy)-1-methyl-8-piperazino-purin-6-one; 2,2,2-trifluoroacetic acid Formula: C21H27F3N6O4 MolecularWeight: 484.47209

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OC4CCCC4.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OC4CCCC4.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C19H26N6O2.C2HF3O2/c1-3-4-11-25-15-16(21-18(25)24-12-9-20-10-13-24)22-19(23(2)17(15)26)27-14-7-5-6-8-14;3-2(4,5)1(6)7/h14,20H,5-13H2,1-2H3;(H,6,7)