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

Systemtic Name: 2-(6-fluoranylbenzimidazol-1-yl)-9-(oxan-4-yl)-6-pyridin-4-yl-7H-purin-8-one Openeye Name: 2-(6-fluorobenzimidazol-1-yl)-6-(4-pyridyl)-9-tetrahydropyran-4-yl-7H-purin-8-one CAS Name: 2-(6-fluoro-1-benzimidazolyl)-9-(4-oxanyl)-6-pyridin-4-yl-7H-purin-8-one IUPAC Name: 2-(6-fluorobenzimidazol-1-yl)-9-(oxan-4-yl)-6-pyridin-4-yl-7H-purin-8-one Traditional Name: 2-(6-fluorobenzimidazol-1-yl)-6-(4-pyridyl)-9-tetrahydropyran-4-yl-7H-purin-8-one Formula: C22H18FN7O2 MolecularWeight: 431.422423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18FN7O2/c23-14-1-2-16-17(11-14)29(12-25-16)21-26-18(13-3-7-24-8-4-13)19-20(28-21)30(22(31)27-19)15-5-9-32-10-6-15/h1-4,7-8,11-12,15H,5-6,9-10H2,(H,27,31)