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

Systemtic Name: 2-butyl-7-but-2-ynyl-1-methyl-8-piperazin-1-yl-purin-6-one; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-butyl-7-but-2-ynyl-1-methyl-8-piperazin-1-yl-purin-6-one; 2,2,2-trifluoroacetic acid CAS Name: 2-butyl-7-but-2-ynyl-1-methyl-8-(1-piperazinyl)-6-purinone; 2,2,2-trifluoroacetic acid IUPAC Name: 2-butyl-7-but-2-ynyl-1-methyl-8-piperazin-1-ylpurin-6-one; 2,2,2-trifluoroacetic acid Traditional Name: 2-butyl-7-but-2-ynyl-1-methyl-8-piperazino-purin-6-one; 2,2,2-trifluoroacetic acid Formula: C20H27F3N6O3 MolecularWeight: 456.46199

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C(=O)N1C)N(C(=N2)N3CCNCC3)CC#CC.C(=O)(C(F)(F)F)O

Isomeric SMILES

CCCCC1=NC2=C(C(=O)N1C)N(C(=N2)N3CCNCC3)CC#CC.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C18H26N6O.C2HF3O2/c1-4-6-8-14-20-16-15(17(25)22(14)3)24(11-7-5-2)18(21-16)23-12-9-19-10-13-23;3-2(4,5)1(6)7/h19H,4,6,8-13H2,1-3H3;(H,6,7)