8-(4-oxidanyl-1-bicyclo[2.2.2]octanyl)-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-(4-oxidanyl-1-bicyclo[2.2.2]octanyl)-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-1,3-dipropyl-7H-purine-2,6-quinone Formula: C19H28N4O3 MolecularWeight: 360.45062

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C34CCC(CC3)(CC4)O

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C34CCC(CC3)(CC4)O

InChI

InChI=1S/C19H28N4O3/c1-3-11-22-14-13(15(24)23(12-4-2)17(22)25)20-16(21-14)18-5-8-19(26,9-6-18)10-7-18/h26H,3-12H2,1-2H3,(H,20,21)