2-(pyrrolidin-3-ylmethylamino)-9-[[2-(trifluoromethyloxy)phenyl]methyl]-7H-purin-8-one

Systemtic Name: 2-(pyrrolidin-3-ylmethylamino)-9-[[2-(trifluoromethyloxy)phenyl]methyl]-7H-purin-8-one Openeye Name: 2-(pyrrolidin-3-ylmethylamino)-9-[[2-(trifluoromethoxy)phenyl]methyl]-7H-purin-8-one CAS Name: 2-(3-pyrrolidinylmethylamino)-9-[[2-(trifluoromethoxy)phenyl]methyl]-7H-purin-8-one IUPAC Name: 2-(pyrrolidin-3-ylmethylamino)-9-[[2-(trifluoromethoxy)phenyl]methyl]-7H-purin-8-one Traditional Name: 2-(pyrrolidin-3-ylmethylamino)-9-[2-(trifluoromethoxy)benzyl]-7H-purin-8-one Formula: C18H19F3N6O2 MolecularWeight: 408.37767

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1CNC2=NC=C3C(=N2)N(C(=O)N3)CC4=CC=CC=C4OC(F)(F)F

Isomeric SMILES

C1CNCC1CNC2=NC=C3C(=N2)N(C(=O)N3)CC4=CC=CC=C4OC(F)(F)F

InChI

InChI=1S/C18H19F3N6O2/c19-18(20,21)29-14-4-2-1-3-12(14)10-27-15-13(25-17(27)28)9-24-16(26-15)23-8-11-5-6-22-7-11/h1-4,9,11,22H,5-8,10H2,(H,25,28)(H,23,24,26)