7-but-2-ynyl-1-methyl-2-(2-oxidanylideneoxolan-3-yl)oxy-8-piperazin-1-yl-purin-6-one; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 7-but-2-ynyl-1-methyl-2-(2-oxidanylideneoxolan-3-yl)oxy-8-piperazin-1-yl-purin-6-one; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 7-but-2-ynyl-1-methyl-2-(2-oxotetrahydrofuran-3-yl)oxy-8-piperazin-1-yl-purin-6-one; 2,2,2-trifluoroacetic acid CAS Name: 7-but-2-ynyl-1-methyl-2-[(2-oxo-3-oxolanyl)oxy]-8-(1-piperazinyl)-6-purinone; 2,2,2-trifluoroacetic acid IUPAC Name: 7-but-2-ynyl-1-methyl-2-(2-oxooxolan-3-yl)oxy-8-piperazin-1-ylpurin-6-one; 2,2,2-trifluoroacetic acid Traditional Name: 7-but-2-ynyl-2-(2-ketotetrahydrofuran-3-yl)oxy-1-methyl-8-piperazino-purin-6-one; 2,2,2-trifluoroacetic acid Formula: C20H23F3N6O6 MolecularWeight: 500.42843

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OC4CCOC4=O.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OC4CCOC4=O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C18H22N6O4.C2HF3O2/c1-3-4-8-24-13-14(20-17(24)23-9-6-19-7-10-23)21-18(22(2)15(13)25)28-12-5-11-27-16(12)26;3-2(4,5)1(6)7/h12,19H,5-11H2,1-2H3;(H,6,7)