8-(2-oxidanylidene-3-oxabicyclo[2.2.2]octan-4-yl)-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-(2-oxidanylidene-3-oxabicyclo[2.2.2]octan-4-yl)-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-(2-oxo-3-oxabicyclo[2.2.2]octan-4-yl)-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-(2-oxo-3-oxabicyclo[2.2.2]octan-4-yl)-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-(2-oxo-3-oxabicyclo[2.2.2]octan-4-yl)-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-(2-keto-3-oxabicyclo[2.2.2]octan-4-yl)-1,3-dipropyl-7H-purine-2,6-quinone Formula: C18H24N4O4 MolecularWeight: 360.40756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C34CCC(CC3)C(=O)O4

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C34CCC(CC3)C(=O)O4

InChI

InChI=1S/C18H24N4O4/c1-3-9-21-13-12(14(23)22(10-4-2)17(21)25)19-16(20-13)18-7-5-11(6-8-18)15(24)26-18/h11H,3-10H2,1-2H3,(H,19,20)