8-bromanyl-7-(3,3-dimethyl-2-oxidanylidene-butyl)-3-methyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-7-(3,3-dimethyl-2-oxidanylidene-butyl)-3-methyl-purine-2,6-dione Openeye Name: 8-bromo-7-(3,3-dimethyl-2-oxo-butyl)-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-(3,3-dimethyl-2-oxobutyl)-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-(3,3-dimethyl-2-oxobutyl)-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-(2-keto-3,3-dimethyl-butyl)-3-methyl-xanthine Formula: C12H15BrN4O3 MolecularWeight: 343.1765

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=C(N=C1Br)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=C(N=C1Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C12H15BrN4O3/c1-12(2,3)6(18)5-17-7-8(14-10(17)13)16(4)11(20)15-9(7)19/h5H2,1-4H3,(H,15,19,20)