5-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]-8-oxabicyclo[3.2.1]octane-2-carboxylic acid

Systemtic Name: 5-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]-8-oxabicyclo[3.2.1]octane-2-carboxylic acid Openeye Name: 5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-8-oxabicyclo[3.2.1]octane-2-carboxylic acid CAS Name: 5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-8-oxabicyclo[3.2.1]octane-2-carboxylic acid IUPAC Name: 5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-8-oxabicyclo[3.2.1]octane-2-carboxylic acid Traditional Name: 5-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)-8-oxabicyclo[3.2.1]octane-2-carboxylic acid Formula: C19H26N4O5 MolecularWeight: 390.43354

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C34CCC(C(O3)CC4)C(=O)O

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C34CCC(C(O3)CC4)C(=O)O

InChI

InChI=1S/C19H26N4O5/c1-3-9-22-14-13(15(24)23(10-4-2)18(22)27)20-17(21-14)19-7-5-11(16(25)26)12(28-19)6-8-19/h11-12H,3-10H2,1-2H3,(H,20,21)(H,25,26)