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

Systemtic Name: 8-(4-phenoxy-1-bicyclo[2.2.2]octanyl)-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-(4-phenoxy-1-bicyclo[2.2.2]octanyl)-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-(4-phenoxy-1-bicyclo[2.2.2]octanyl)-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-(4-phenoxy-1-bicyclo[2.2.2]octanyl)-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-(4-phenoxy-1-bicyclo[2.2.2]octanyl)-1,3-dipropyl-7H-purine-2,6-quinone Formula: C25H32N4O3 MolecularWeight: 436.54658

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C34CCC(CC3)(CC4)OC5=CC=CC=C5

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C34CCC(CC3)(CC4)OC5=CC=CC=C5

InChI

InChI=1S/C25H32N4O3/c1-3-16-28-20-19(21(30)29(17-4-2)23(28)31)26-22(27-20)24-10-13-25(14-11-24,15-12-24)32-18-8-6-5-7-9-18/h5-9H,3-4,10-17H2,1-2H3,(H,26,27)