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

Systemtic Name: 8-(4-prop-2-enoxy-1-bicyclo[2.2.2]octanyl)-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-(4-allyloxy-1-bicyclo[2.2.2]octanyl)-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-(4-prop-2-enoxy-1-bicyclo[2.2.2]octanyl)-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-(4-prop-2-enoxy-1-bicyclo[2.2.2]octanyl)-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-(4-allyloxy-1-bicyclo[2.2.2]octanyl)-1,3-dipropyl-7H-purine-2,6-quinone Formula: C22H32N4O3 MolecularWeight: 400.51448

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C34CCC(CC3)(CC4)OCC=C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C34CCC(CC3)(CC4)OCC=C

InChI

InChI=1S/C22H32N4O3/c1-4-13-25-17-16(18(27)26(14-5-2)20(25)28)23-19(24-17)21-7-10-22(11-8-21,12-9-21)29-15-6-3/h6H,3-5,7-15H2,1-2H3,(H,23,24)