1-[2-(6-cyanobenzimidazol-1-yl)-9-(oxan-4-yl)-8-oxidanylidene-7H-purin-6-yl]azetidine-3-carboxylic acid

Systemtic Name: 1-[2-(6-cyanobenzimidazol-1-yl)-9-(oxan-4-yl)-8-oxidanylidene-7H-purin-6-yl]azetidine-3-carboxylic acid Openeye Name: 1-[2-(6-cyanobenzimidazol-1-yl)-8-oxo-9-tetrahydropyran-4-yl-7H-purin-6-yl]azetidine-3-carboxylic acid CAS Name: 1-[2-(6-cyano-1-benzimidazolyl)-9-(4-oxanyl)-8-oxo-7H-purin-6-yl]-3-azetidinecarboxylic acid IUPAC Name: 1-[2-(6-cyanobenzimidazol-1-yl)-9-(oxan-4-yl)-8-oxo-7H-purin-6-yl]azetidine-3-carboxylic acid Traditional Name: 1-[2-(6-cyanobenzimidazol-1-yl)-8-keto-9-tetrahydropyran-4-yl-7H-purin-6-yl]azetidine-3-carboxylic acid Formula: C22H20N8O4 MolecularWeight: 460.4454

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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)C(=O)O)NC2=O

Isomeric SMILES

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

InChI

InChI=1S/C22H20N8O4/c23-8-12-1-2-15-16(7-12)29(11-24-15)21-26-18(28-9-13(10-28)20(31)32)17-19(27-21)30(22(33)25-17)14-3-5-34-6-4-14/h1-2,7,11,13-14H,3-6,9-10H2,(H,25,33)(H,31,32)