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

Systemtic Name: 8-bromanyl-9-butyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-9-butyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-9-butyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-9-butyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-9-butyl-1,3-dimethyl-xanthine Formula: C11H15BrN4O2 MolecularWeight: 315.1664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C(=O)N2C)C)N=C1Br

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C(=O)N2C)C)N=C1Br

InChI

InChI=1S/C11H15BrN4O2/c1-4-5-6-16-8-7(13-10(16)12)9(17)15(3)11(18)14(8)2/h4-6H2,1-3H3