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

Systemtic Name: 2-(6-fluoranylbenzimidazol-1-yl)-6-(6-methoxypyridin-3-yl)-9-(oxan-4-yl)-7H-purin-8-one Openeye Name: 2-(6-fluorobenzimidazol-1-yl)-6-(6-methoxy-3-pyridyl)-9-tetrahydropyran-4-yl-7H-purin-8-one CAS Name: 2-(6-fluoro-1-benzimidazolyl)-6-(6-methoxy-3-pyridinyl)-9-(4-oxanyl)-7H-purin-8-one IUPAC Name: 2-(6-fluorobenzimidazol-1-yl)-6-(6-methoxypyridin-3-yl)-9-(oxan-4-yl)-7H-purin-8-one Traditional Name: 2-(6-fluorobenzimidazol-1-yl)-6-(6-methoxy-3-pyridyl)-9-tetrahydropyran-4-yl-7H-purin-8-one Formula: C23H20FN7O3 MolecularWeight: 461.448403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)C2=C3C(=NC(=N2)N4C=NC5=C4C=C(C=C5)F)N(C(=O)N3)C6CCOCC6

Isomeric SMILES

COC1=NC=C(C=C1)C2=C3C(=NC(=N2)N4C=NC5=C4C=C(C=C5)F)N(C(=O)N3)C6CCOCC6

InChI

InChI=1S/C23H20FN7O3/c1-33-18-5-2-13(11-25-18)19-20-21(31(23(32)28-20)15-6-8-34-9-7-15)29-22(27-19)30-12-26-16-4-3-14(24)10-17(16)30/h2-5,10-12,15H,6-9H2,1H3,(H,28,32)