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

Systemtic Name: 2-(6-fluoranylbenzimidazol-1-yl)-9-(oxan-4-yl)-6-pyridin-3-yloxy-7H-purin-8-one Openeye Name: 2-(6-fluorobenzimidazol-1-yl)-6-(3-pyridyloxy)-9-tetrahydropyran-4-yl-7H-purin-8-one CAS Name: 2-(6-fluoro-1-benzimidazolyl)-9-(4-oxanyl)-6-(3-pyridinyloxy)-7H-purin-8-one IUPAC Name: 2-(6-fluorobenzimidazol-1-yl)-9-(oxan-4-yl)-6-pyridin-3-yloxy-7H-purin-8-one Traditional Name: 2-(6-fluorobenzimidazol-1-yl)-6-(3-pyridyloxy)-9-tetrahydropyran-4-yl-7H-purin-8-one Formula: C22H18FN7O3 MolecularWeight: 447.421823

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1N2C3=C(C(=NC(=N3)N4C=NC5=C4C=C(C=C5)F)OC6=CN=CC=C6)NC2=O

Isomeric SMILES

C1COCCC1N2C3=C(C(=NC(=N3)N4C=NC5=C4C=C(C=C5)F)OC6=CN=CC=C6)NC2=O

InChI

InChI=1S/C22H18FN7O3/c23-13-3-4-16-17(10-13)29(12-25-16)21-27-19-18(20(28-21)33-15-2-1-7-24-11-15)26-22(31)30(19)14-5-8-32-9-6-14/h1-4,7,10-12,14H,5-6,8-9H2,(H,26,31)