N-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-bis(oxidanylidene)-7H-purin-8-yl]methyl]phenyl]-1H-imidazole-5-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: N-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-bis(oxidanylidene)-7H-purin-8-yl]methyl]phenyl]-1H-imidazole-5-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7H-purin-8-yl]methyl]phenyl]-1H-imidazole-5-carboxamide; 2,2,2-trifluoroacetic acid CAS Name: N-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7H-purin-8-yl]methyl]phenyl]-1H-imidazole-5-carboxamide; 2,2,2-trifluoroacetic acid IUPAC Name: N-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7H-purin-8-yl]methyl]phenyl]-1H-imidazole-5-carboxamide; 2,2,2-trifluoroacetic acid Traditional Name: N-[4-[[3-butyl-1-(2-fluorobenzyl)-2,6-diketo-7H-purin-8-yl]methyl]phenyl]-1H-imidazole-5-carboxamide; 2,2,2-trifluoroacetic acid Formula: C29H27F4N7O5 MolecularWeight: 629.562193

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3F)NC(=N2)CC4=CC=C(C=C4)NC(=O)C5=CN=CN5.C(=O)(C(F)(F)F)O

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3F)NC(=N2)CC4=CC=C(C=C4)NC(=O)C5=CN=CN5.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C27H26FN7O3.C2HF3O2/c1-2-3-12-34-24-23(26(37)35(27(34)38)15-18-6-4-5-7-20(18)28)32-22(33-24)13-17-8-10-19(11-9-17)31-25(36)21-14-29-16-30-21;3-2(4,5)1(6)7/h4-11,14,16H,2-3,12-13,15H2,1H3,(H,29,30)(H,31,36)(H,32,33);(H,6,7)