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

Systemtic Name: 3-(2-methoxyethyl)-8-(1-pentyl-4-bicyclo[2.2.2]octanyl)-1-propyl-7H-purine-2,6-dione Openeye Name: 3-(2-methoxyethyl)-8-(1-pentyl-4-bicyclo[2.2.2]octanyl)-1-propyl-7H-purine-2,6-dione CAS Name: 3-(2-methoxyethyl)-8-(1-pentyl-4-bicyclo[2.2.2]octanyl)-1-propyl-7H-purine-2,6-dione IUPAC Name: 3-(2-methoxyethyl)-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-(2-methoxyethyl)-1-propyl-7H-purine-2,6-quinone Formula: C24H38N4O3 MolecularWeight: 430.58352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)C3=NC4=C(N3)C(=O)N(C(=O)N4CCOC)CCC

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)C3=NC4=C(N3)C(=O)N(C(=O)N4CCOC)CCC

InChI

InChI=1S/C24H38N4O3/c1-4-6-7-8-23-9-12-24(13-10-23,14-11-23)21-25-18-19(26-21)27(16-17-31-3)22(30)28(15-5-2)20(18)29/h4-17H2,1-3H3,(H,25,26)