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

Systemtic Name: 2-(6-fluoranylbenzimidazol-1-yl)-9-(oxan-4-yl)-6-(1H-pyrazol-4-yl)-7H-purin-8-one Openeye Name: 2-(6-fluorobenzimidazol-1-yl)-6-(1H-pyrazol-4-yl)-9-tetrahydropyran-4-yl-7H-purin-8-one CAS Name: 2-(6-fluoro-1-benzimidazolyl)-9-(4-oxanyl)-6-(1H-pyrazol-4-yl)-7H-purin-8-one IUPAC Name: 2-(6-fluorobenzimidazol-1-yl)-9-(oxan-4-yl)-6-(1H-pyrazol-4-yl)-7H-purin-8-one Traditional Name: 2-(6-fluorobenzimidazol-1-yl)-6-(1H-pyrazol-4-yl)-9-tetrahydropyran-4-yl-7H-purin-8-one Formula: C20H17FN8O2 MolecularWeight: 420.399783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17FN8O2/c21-12-1-2-14-15(7-12)28(10-22-14)19-25-16(11-8-23-24-9-11)17-18(27-19)29(20(30)26-17)13-3-5-31-6-4-13/h1-2,7-10,13H,3-6H2,(H,23,24)(H,26,30)