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

Systemtic Name: 6-(azetidin-3-ylmethylamino)-2-(6-fluoranylbenzimidazol-1-yl)-9-(oxan-4-yl)-7H-purin-8-one Openeye Name: 6-(azetidin-3-ylmethylamino)-2-(6-fluorobenzimidazol-1-yl)-9-tetrahydropyran-4-yl-7H-purin-8-one CAS Name: 6-(3-azetidinylmethylamino)-2-(6-fluoro-1-benzimidazolyl)-9-(4-oxanyl)-7H-purin-8-one IUPAC Name: 6-(azetidin-3-ylmethylamino)-2-(6-fluorobenzimidazol-1-yl)-9-(oxan-4-yl)-7H-purin-8-one Traditional Name: 6-(azetidin-3-ylmethylamino)-2-(6-fluorobenzimidazol-1-yl)-9-tetrahydropyran-4-yl-7H-purin-8-one Formula: C21H23FN8O2 MolecularWeight: 438.458123

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1N2C3=C(C(=NC(=N3)N4C=NC5=C4C=C(C=C5)F)NCC6CNC6)NC2=O

Isomeric SMILES

C1COCCC1N2C3=C(C(=NC(=N3)N4C=NC5=C4C=C(C=C5)F)NCC6CNC6)NC2=O

InChI

InChI=1S/C21H23FN8O2/c22-13-1-2-15-16(7-13)29(11-25-15)20-27-18(24-10-12-8-23-9-12)17-19(28-20)30(21(31)26-17)14-3-5-32-6-4-14/h1-2,7,11-12,14,23H,3-6,8-10H2,(H,26,31)(H,24,27,28)