7,8-dimethyl-3-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 7,8-dimethyl-3-(2-methylpropyl)purine-2,6-dione Openeye Name: 3-isobutyl-7,8-dimethyl-purine-2,6-dione CAS Name: 7,8-dimethyl-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 7,8-dimethyl-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 3-isobutyl-7,8-dimethyl-xanthine Formula: C11H16N4O2 MolecularWeight: 236.27034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C)C(=O)NC(=O)N2CC(C)C

Isomeric SMILES

CC1=NC2=C(N1C)C(=O)NC(=O)N2CC(C)C

InChI

InChI=1S/C11H16N4O2/c1-6(2)5-15-9-8(10(16)13-11(15)17)14(4)7(3)12-9/h6H,5H2,1-4H3,(H,13,16,17)