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

Systemtic Name: 8-[1-(3-oxidanylidenebutyl)-4-bicyclo[2.2.2]octanyl]-3-propyl-7H-purine-2,6-dione Openeye Name: 8-[1-(3-oxobutyl)-4-bicyclo[2.2.2]octanyl]-3-propyl-7H-purine-2,6-dione CAS Name: 8-[1-(3-oxobutyl)-4-bicyclo[2.2.2]octanyl]-3-propyl-7H-purine-2,6-dione IUPAC Name: 8-[1-(3-oxobutyl)-4-bicyclo[2.2.2]octanyl]-3-propyl-7H-purine-2,6-dione Traditional Name: 8-[1-(3-ketobutyl)-4-bicyclo[2.2.2]octanyl]-3-propyl-7H-purine-2,6-quinone Formula: C20H28N4O3 MolecularWeight: 372.46132

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)NC(=N2)C34CCC(CC3)(CC4)CCC(=O)C

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)NC(=N2)C34CCC(CC3)(CC4)CCC(=O)C

InChI

InChI=1S/C20H28N4O3/c1-3-12-24-15-14(16(26)23-18(24)27)21-17(22-15)20-9-6-19(7-10-20,8-11-20)5-4-13(2)25/h3-12H2,1-2H3,(H,21,22)(H,23,26,27)