9-[[2-fluoranyl-6-(trifluoromethyl)phenyl]methyl]-2-(pyrrolidin-3-ylmethylamino)-7H-purin-8-one

Systemtic Name: 9-[[2-fluoranyl-6-(trifluoromethyl)phenyl]methyl]-2-(pyrrolidin-3-ylmethylamino)-7H-purin-8-one Openeye Name: 9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-2-(pyrrolidin-3-ylmethylamino)-7H-purin-8-one CAS Name: 9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-2-(3-pyrrolidinylmethylamino)-7H-purin-8-one IUPAC Name: 9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-2-(pyrrolidin-3-ylmethylamino)-7H-purin-8-one Traditional Name: 9-[2-fluoro-6-(trifluoromethyl)benzyl]-2-(pyrrolidin-3-ylmethylamino)-7H-purin-8-one Formula: C18H18F4N6O MolecularWeight: 410.368733

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1CNC2=NC=C3C(=N2)N(C(=O)N3)CC4=C(C=CC=C4F)C(F)(F)F

Isomeric SMILES

C1CNCC1CNC2=NC=C3C(=N2)N(C(=O)N3)CC4=C(C=CC=C4F)C(F)(F)F

InChI

InChI=1S/C18H18F4N6O/c19-13-3-1-2-12(18(20,21)22)11(13)9-28-15-14(26-17(28)29)8-25-16(27-15)24-7-10-4-5-23-6-10/h1-3,8,10,23H,4-7,9H2,(H,26,29)(H,24,25,27)