6-azanyl-9-[[4-fluoranyl-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one

Systemtic Name: 6-azanyl-9-[[4-fluoranyl-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one Openeye Name: 6-amino-9-[[4-fluoro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one CAS Name: 6-amino-9-[[4-fluoro-3-(1-pyrrolidinylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one IUPAC Name: 6-amino-9-[[4-fluoro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one Traditional Name: 6-amino-9-[4-fluoro-3-(pyrrolidinomethyl)benzyl]-2-(2-methoxyethoxy)-7H-purin-8-one Formula: C20H25FN6O3 MolecularWeight: 416.449303

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC(=C(C=C3)F)CN4CCCC4

Isomeric SMILES

COCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC(=C(C=C3)F)CN4CCCC4

InChI

InChI=1S/C20H25FN6O3/c1-29-8-9-30-19-24-17(22)16-18(25-19)27(20(28)23-16)11-13-4-5-15(21)14(10-13)12-26-6-2-3-7-26/h4-5,10H,2-3,6-9,11-12H2,1H3,(H,23,28)(H2,22,24,25)