8-(5-oxidanyl-1-bicyclo[3.2.2]nonanyl)-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-(5-oxidanyl-1-bicyclo[3.2.2]nonanyl)-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-(5-hydroxy-1-bicyclo[3.2.2]nonanyl)-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-(5-hydroxy-1-bicyclo[3.2.2]nonanyl)-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-(5-hydroxy-1-bicyclo[3.2.2]nonanyl)-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-(5-hydroxy-1-bicyclo[3.2.2]nonanyl)-1,3-dipropyl-7H-purine-2,6-quinone Formula: C20H30N4O3 MolecularWeight: 374.4772

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C34CCCC(CC3)(CC4)O

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C34CCCC(CC3)(CC4)O

InChI

InChI=1S/C20H30N4O3/c1-3-12-23-15-14(16(25)24(13-4-2)18(23)26)21-17(22-15)19-6-5-7-20(27,10-8-19)11-9-19/h27H,3-13H2,1-2H3,(H,21,22)