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

Systemtic Name: 2-(6-fluoranylbenzimidazol-1-yl)-9-(oxan-4-yl)-6-pyridin-4-yloxy-7H-purin-8-one Openeye Name: 2-(6-fluorobenzimidazol-1-yl)-6-(4-pyridyloxy)-9-tetrahydropyran-4-yl-7H-purin-8-one CAS Name: 2-(6-fluoro-1-benzimidazolyl)-9-(4-oxanyl)-6-pyridin-4-yloxy-7H-purin-8-one IUPAC Name: 2-(6-fluorobenzimidazol-1-yl)-9-(oxan-4-yl)-6-pyridin-4-yloxy-7H-purin-8-one Traditional Name: 2-(6-fluorobenzimidazol-1-yl)-6-(4-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=CC=NC=C6)NC2=O

Isomeric SMILES

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

InChI

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