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

Systemtic Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-pyrimidin-2-yloxy-purin-6-one; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-pyrimidin-2-yloxy-purin-6-one; 2,2,2-trifluoroacetic acid CAS Name: 7-but-2-ynyl-1-methyl-8-(1-piperazinyl)-2-(2-pyrimidinyloxy)-6-purinone; 2,2,2-trifluoroacetic acid IUPAC Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-pyrimidin-2-yloxypurin-6-one; 2,2,2-trifluoroacetic acid Traditional Name: 7-but-2-ynyl-1-methyl-8-piperazino-2-(2-pyrimidyloxy)purin-6-one; 2,2,2-trifluoroacetic acid Formula: C20H21F3N8O4 MolecularWeight: 494.42715

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OC4=NC=CC=N4.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OC4=NC=CC=N4.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C18H20N8O2.C2HF3O2/c1-3-4-10-26-13-14(22-17(26)25-11-8-19-9-12-25)23-18(24(2)15(13)27)28-16-20-6-5-7-21-16;3-2(4,5)1(6)7/h5-7,19H,8-12H2,1-2H3;(H,6,7)