3-[(1-iodanylcyclobutyl)methyl]-7-propyl-purine-2,6-dione

Systemtic Name: 3-[(1-iodanylcyclobutyl)methyl]-7-propyl-purine-2,6-dione Openeye Name: 3-[(1-iodocyclobutyl)methyl]-7-propyl-purine-2,6-dione CAS Name: 3-[(1-iodocyclobutyl)methyl]-7-propylpurine-2,6-dione IUPAC Name: 3-[(1-iodocyclobutyl)methyl]-7-propylpurine-2,6-dione Traditional Name: 3-[(1-iodocyclobutyl)methyl]-7-propyl-xanthine Formula: C13H17IN4O2 MolecularWeight: 388.20415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1C(=O)NC(=O)N2CC3(CCC3)I

Isomeric SMILES

CCCN1C=NC2=C1C(=O)NC(=O)N2CC3(CCC3)I

InChI

InChI=1S/C13H17IN4O2/c1-2-6-17-8-15-10-9(17)11(19)16-12(20)18(10)7-13(14)4-3-5-13/h8H,2-7H2,1H3,(H,16,19,20)