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

Systemtic Name: 2-(6-fluoranylbenzimidazol-1-yl)-6-(4-methyl-1,4-diazepan-1-yl)-9-(oxan-4-yl)-7H-purin-8-one Openeye Name: 2-(6-fluorobenzimidazol-1-yl)-6-(4-methyl-1,4-diazepan-1-yl)-9-tetrahydropyran-4-yl-7H-purin-8-one CAS Name: 2-(6-fluoro-1-benzimidazolyl)-6-(4-methyl-1,4-diazepan-1-yl)-9-(4-oxanyl)-7H-purin-8-one IUPAC Name: 2-(6-fluorobenzimidazol-1-yl)-6-(4-methyl-1,4-diazepan-1-yl)-9-(oxan-4-yl)-7H-purin-8-one Traditional Name: 2-(6-fluorobenzimidazol-1-yl)-6-(4-methyl-1,4-diazepan-1-yl)-9-tetrahydropyran-4-yl-7H-purin-8-one Formula: C23H27FN8O2 MolecularWeight: 466.511283

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=NC(=NC3=C2NC(=O)N3C4CCOCC4)N5C=NC6=C5C=C(C=C6)F

Isomeric SMILES

CN1CCCN(CC1)C2=NC(=NC3=C2NC(=O)N3C4CCOCC4)N5C=NC6=C5C=C(C=C6)F

InChI

InChI=1S/C23H27FN8O2/c1-29-7-2-8-30(10-9-29)20-19-21(32(23(33)26-19)16-5-11-34-12-6-16)28-22(27-20)31-14-25-17-4-3-15(24)13-18(17)31/h3-4,13-14,16H,2,5-12H2,1H3,(H,26,33)