2-(1H-pyrazol-5-ylmethylamino)-9-[[2-(trifluoromethyloxy)phenyl]methyl]-7H-purin-8-one

Systemtic Name: 2-(1H-pyrazol-5-ylmethylamino)-9-[[2-(trifluoromethyloxy)phenyl]methyl]-7H-purin-8-one Openeye Name: 2-(1H-pyrazol-5-ylmethylamino)-9-[[2-(trifluoromethoxy)phenyl]methyl]-7H-purin-8-one CAS Name: 2-(1H-pyrazol-5-ylmethylamino)-9-[[2-(trifluoromethoxy)phenyl]methyl]-7H-purin-8-one IUPAC Name: 2-(1H-pyrazol-5-ylmethylamino)-9-[[2-(trifluoromethoxy)phenyl]methyl]-7H-purin-8-one Traditional Name: 2-(1H-pyrazol-5-ylmethylamino)-9-[2-(trifluoromethoxy)benzyl]-7H-purin-8-one Formula: C17H14F3N7O2 MolecularWeight: 405.33397

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C3=NC(=NC=C3NC2=O)NCC4=CC=NN4)OC(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)CN2C3=NC(=NC=C3NC2=O)NCC4=CC=NN4)OC(F)(F)F

InChI

InChI=1S/C17H14F3N7O2/c18-17(19,20)29-13-4-2-1-3-10(13)9-27-14-12(24-16(27)28)8-22-15(25-14)21-7-11-5-6-23-26-11/h1-6,8H,7,9H2,(H,23,26)(H,24,28)(H,21,22,25)