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

Systemtic Name: 2-(6-fluoranylbenzimidazol-1-yl)-6-(1-methylpyrazol-4-yl)-9-(oxan-4-yl)-7H-purin-8-one Openeye Name: 2-(6-fluorobenzimidazol-1-yl)-6-(1-methylpyrazol-4-yl)-9-tetrahydropyran-4-yl-7H-purin-8-one CAS Name: 2-(6-fluoro-1-benzimidazolyl)-6-(1-methyl-4-pyrazolyl)-9-(4-oxanyl)-7H-purin-8-one IUPAC Name: 2-(6-fluorobenzimidazol-1-yl)-6-(1-methylpyrazol-4-yl)-9-(oxan-4-yl)-7H-purin-8-one Traditional Name: 2-(6-fluorobenzimidazol-1-yl)-6-(1-methylpyrazol-4-yl)-9-tetrahydropyran-4-yl-7H-purin-8-one Formula: C21H19FN8O2 MolecularWeight: 434.426363

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2=C3C(=NC(=N2)N4C=NC5=C4C=C(C=C5)F)N(C(=O)N3)C6CCOCC6

Isomeric SMILES

CN1C=C(C=N1)C2=C3C(=NC(=N2)N4C=NC5=C4C=C(C=C5)F)N(C(=O)N3)C6CCOCC6

InChI

InChI=1S/C21H19FN8O2/c1-28-10-12(9-24-28)17-18-19(30(21(31)26-18)14-4-6-32-7-5-14)27-20(25-17)29-11-23-15-3-2-13(22)8-16(15)29/h2-3,8-11,14H,4-7H2,1H3,(H,26,31)