9-butyl-1,8-dimethyl-3H-purine-2,6-dione

Systemtic Name: 9-butyl-1,8-dimethyl-3H-purine-2,6-dione Openeye Name: 9-butyl-1,8-dimethyl-3H-purine-2,6-dione CAS Name: 9-butyl-1,8-dimethyl-3H-purine-2,6-dione IUPAC Name: 9-butyl-1,8-dimethyl-3H-purine-2,6-dione Traditional Name: 9-butyl-1,8-dimethyl-xanthine Formula: C11H16N4O2 MolecularWeight: 236.27034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1NC(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C(=NC2=C1NC(=O)N(C2=O)C)C

InChI

InChI=1S/C11H16N4O2/c1-4-5-6-15-7(2)12-8-9(15)13-11(17)14(3)10(8)16/h4-6H2,1-3H3,(H,13,17)