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

Systemtic Name: 3-[6-morpholin-4-yl-9-(oxan-4-yl)-8-oxidanylidene-7H-purin-2-yl]benzimidazole-5-carbonitrile Openeye Name: 3-(6-morpholino-8-oxo-9-tetrahydropyran-4-yl-7H-purin-2-yl)benzimidazole-5-carbonitrile CAS Name: 3-[6-(4-morpholinyl)-9-(4-oxanyl)-8-oxo-7H-purin-2-yl]-5-benzimidazolecarbonitrile IUPAC Name: 3-[6-morpholin-4-yl-9-(oxan-4-yl)-8-oxo-7H-purin-2-yl]benzimidazole-5-carbonitrile Traditional Name: 3-(8-keto-6-morpholino-9-tetrahydropyran-4-yl-7H-purin-2-yl)benzimidazole-5-carbonitrile Formula: C22H22N8O3 MolecularWeight: 446.46188

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1N2C3=C(C(=NC(=N3)N4C=NC5=C4C=C(C=C5)C#N)N6CCOCC6)NC2=O

Isomeric SMILES

C1COCCC1N2C3=C(C(=NC(=N3)N4C=NC5=C4C=C(C=C5)C#N)N6CCOCC6)NC2=O

InChI

InChI=1S/C22H22N8O3/c23-12-14-1-2-16-17(11-14)29(13-24-16)21-26-19(28-5-9-33-10-6-28)18-20(27-21)30(22(31)25-18)15-3-7-32-8-4-15/h1-2,11,13,15H,3-10H2,(H,25,31)