3-methyl-8-(1-pentyl-4-bicyclo[2.2.2]octanyl)-1-propyl-7H-purine-2,6-dione

Systemtic Name: 3-methyl-8-(1-pentyl-4-bicyclo[2.2.2]octanyl)-1-propyl-7H-purine-2,6-dione Openeye Name: 3-methyl-8-(1-pentyl-4-bicyclo[2.2.2]octanyl)-1-propyl-7H-purine-2,6-dione CAS Name: 3-methyl-8-(1-pentyl-4-bicyclo[2.2.2]octanyl)-1-propyl-7H-purine-2,6-dione IUPAC Name: 3-methyl-8-(1-pentyl-4-bicyclo[2.2.2]octanyl)-1-propyl-7H-purine-2,6-dione Traditional Name: 8-(1-amyl-4-bicyclo[2.2.2]octanyl)-3-methyl-1-propyl-7H-purine-2,6-quinone Formula: C22H34N4O2 MolecularWeight: 386.53096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)C3=NC4=C(N3)C(=O)N(C(=O)N4C)CCC

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)C3=NC4=C(N3)C(=O)N(C(=O)N4C)CCC

InChI

InChI=1S/C22H34N4O2/c1-4-6-7-8-21-9-12-22(13-10-21,14-11-21)19-23-16-17(24-19)25(3)20(28)26(15-5-2)18(16)27/h4-15H2,1-3H3,(H,23,24)