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

Systemtic Name: 3-[6-(cyclobutylamino)-9-(oxan-4-yl)-8-oxidanylidene-7H-purin-2-yl]benzimidazole-5-carbonitrile Openeye Name: 3-[6-(cyclobutylamino)-8-oxo-9-tetrahydropyran-4-yl-7H-purin-2-yl]benzimidazole-5-carbonitrile CAS Name: 3-[6-(cyclobutylamino)-9-(4-oxanyl)-8-oxo-7H-purin-2-yl]-5-benzimidazolecarbonitrile IUPAC Name: 3-[6-(cyclobutylamino)-9-(oxan-4-yl)-8-oxo-7H-purin-2-yl]benzimidazole-5-carbonitrile Traditional Name: 3-[6-(cyclobutylamino)-8-keto-9-tetrahydropyran-4-yl-7H-purin-2-yl]benzimidazole-5-carbonitrile Formula: C22H22N8O2 MolecularWeight: 430.46248

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)NC2=NC(=NC3=C2NC(=O)N3C4CCOCC4)N5C=NC6=C5C=C(C=C6)C#N

Isomeric SMILES

C1CC(C1)NC2=NC(=NC3=C2NC(=O)N3C4CCOCC4)N5C=NC6=C5C=C(C=C6)C#N

InChI

InChI=1S/C22H22N8O2/c23-11-13-4-5-16-17(10-13)29(12-24-16)21-27-19(25-14-2-1-3-14)18-20(28-21)30(22(31)26-18)15-6-8-32-9-7-15/h4-5,10,12,14-15H,1-3,6-9H2,(H,26,31)(H,25,27,28)