2-(6-fluoranylbenzimidazol-1-yl)-9-(oxan-4-yl)-6-(3-oxidanylazetidin-1-yl)-7H-purin-8-one

Systemtic Name: 2-(6-fluoranylbenzimidazol-1-yl)-9-(oxan-4-yl)-6-(3-oxidanylazetidin-1-yl)-7H-purin-8-one Openeye Name: 2-(6-fluorobenzimidazol-1-yl)-6-(3-hydroxyazetidin-1-yl)-9-tetrahydropyran-4-yl-7H-purin-8-one CAS Name: 2-(6-fluoro-1-benzimidazolyl)-6-(3-hydroxy-1-azetidinyl)-9-(4-oxanyl)-7H-purin-8-one IUPAC Name: 2-(6-fluorobenzimidazol-1-yl)-6-(3-hydroxyazetidin-1-yl)-9-(oxan-4-yl)-7H-purin-8-one Traditional Name: 2-(6-fluorobenzimidazol-1-yl)-6-(3-hydroxyazetidin-1-yl)-9-tetrahydropyran-4-yl-7H-purin-8-one Formula: C20H20FN7O3 MolecularWeight: 425.416303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1N2C3=C(C(=NC(=N3)N4C=NC5=C4C=C(C=C5)F)N6CC(C6)O)NC2=O

Isomeric SMILES

C1COCCC1N2C3=C(C(=NC(=N3)N4C=NC5=C4C=C(C=C5)F)N6CC(C6)O)NC2=O

InChI

InChI=1S/C20H20FN7O3/c21-11-1-2-14-15(7-11)27(10-22-14)19-24-17(26-8-13(29)9-26)16-18(25-19)28(20(30)23-16)12-3-5-31-6-4-12/h1-2,7,10,12-13,29H,3-6,8-9H2,(H,23,30)