8-bromanyl-1-ethyl-3-methyl-7-propyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-1-ethyl-3-methyl-7-propyl-purine-2,6-dione Openeye Name: 8-bromo-1-ethyl-3-methyl-7-propyl-purine-2,6-dione CAS Name: 8-bromo-1-ethyl-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 8-bromo-1-ethyl-3-methyl-7-propylpurine-2,6-dione Traditional Name: 8-bromo-1-ethyl-3-methyl-7-propyl-xanthine Formula: C11H15BrN4O2 MolecularWeight: 315.1664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1Br)N(C(=O)N(C2=O)CC)C

Isomeric SMILES

CCCN1C2=C(N=C1Br)N(C(=O)N(C2=O)CC)C

InChI

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