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

Systemtic Name: 8-(1-ethenyl-4-bicyclo[2.2.2]octanyl)-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 1,3-dipropyl-8-(1-vinyl-4-bicyclo[2.2.2]octanyl)-7H-purine-2,6-dione CAS Name: 8-(1-ethenyl-4-bicyclo[2.2.2]octanyl)-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-(1-ethenyl-4-bicyclo[2.2.2]octanyl)-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 1,3-dipropyl-8-(1-vinyl-4-bicyclo[2.2.2]octanyl)-7H-purine-2,6-quinone Formula: C21H30N4O2 MolecularWeight: 370.4885

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O2/c1-4-13-24-16-15(17(26)25(14-5-2)19(24)27)22-18(23-16)21-10-7-20(6-3,8-11-21)9-12-21/h6H,3-5,7-14H2,1-2H3,(H,22,23)