3-[9-(oxan-4-yl)-6-(3-oxidanylazetidin-1-yl)-8-oxidanylidene-7H-purin-2-yl]benzimidazole-5-carbonitrile

Systemtic Name: 3-[9-(oxan-4-yl)-6-(3-oxidanylazetidin-1-yl)-8-oxidanylidene-7H-purin-2-yl]benzimidazole-5-carbonitrile Openeye Name: 3-[6-(3-hydroxyazetidin-1-yl)-8-oxo-9-tetrahydropyran-4-yl-7H-purin-2-yl]benzimidazole-5-carbonitrile CAS Name: 3-[6-(3-hydroxy-1-azetidinyl)-9-(4-oxanyl)-8-oxo-7H-purin-2-yl]-5-benzimidazolecarbonitrile IUPAC Name: 3-[6-(3-hydroxyazetidin-1-yl)-9-(oxan-4-yl)-8-oxo-7H-purin-2-yl]benzimidazole-5-carbonitrile Traditional Name: 3-[6-(3-hydroxyazetidin-1-yl)-8-keto-9-tetrahydropyran-4-yl-7H-purin-2-yl]benzimidazole-5-carbonitrile Formula: C21H20N8O3 MolecularWeight: 432.4353

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1N2C3=C(C(=NC(=N3)N4C=NC5=C4C=C(C=C5)C#N)N6CC(C6)O)NC2=O

Isomeric SMILES

C1COCCC1N2C3=C(C(=NC(=N3)N4C=NC5=C4C=C(C=C5)C#N)N6CC(C6)O)NC2=O

InChI

InChI=1S/C21H20N8O3/c22-8-12-1-2-15-16(7-12)28(11-23-15)20-25-18(27-9-14(30)10-27)17-19(26-20)29(21(31)24-17)13-3-5-32-6-4-13/h1-2,7,11,13-14,30H,3-6,9-10H2,(H,24,31)