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

Systemtic Name: 2-(6-fluoranylbenzimidazol-1-yl)-6-(6-fluoranylpyridin-3-yl)-9-(oxan-4-yl)-7H-purin-8-one Openeye Name: 2-(6-fluorobenzimidazol-1-yl)-6-(6-fluoro-3-pyridyl)-9-tetrahydropyran-4-yl-7H-purin-8-one CAS Name: 2-(6-fluoro-1-benzimidazolyl)-6-(6-fluoro-3-pyridinyl)-9-(4-oxanyl)-7H-purin-8-one IUPAC Name: 2-(6-fluorobenzimidazol-1-yl)-6-(6-fluoropyridin-3-yl)-9-(oxan-4-yl)-7H-purin-8-one Traditional Name: 2-(6-fluorobenzimidazol-1-yl)-6-(6-fluoro-3-pyridyl)-9-tetrahydropyran-4-yl-7H-purin-8-one Formula: C22H17F2N7O2 MolecularWeight: 449.412886

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1N2C3=NC(=NC(=C3NC2=O)C4=CN=C(C=C4)F)N5C=NC6=C5C=C(C=C6)F

Isomeric SMILES

C1COCCC1N2C3=NC(=NC(=C3NC2=O)C4=CN=C(C=C4)F)N5C=NC6=C5C=C(C=C6)F

InChI

InChI=1S/C22H17F2N7O2/c23-13-2-3-15-16(9-13)30(11-26-15)21-27-18(12-1-4-17(24)25-10-12)19-20(29-21)31(22(32)28-19)14-5-7-33-8-6-14/h1-4,9-11,14H,5-8H2,(H,28,32)