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

Systemtic Name: 8-bromanyl-3-methyl-7-propyl-purine-2,6-dione Openeye Name: 8-bromo-3-methyl-7-propyl-purine-2,6-dione CAS Name: 8-bromo-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 8-bromo-3-methyl-7-propylpurine-2,6-dione Traditional Name: 8-bromo-3-methyl-7-propyl-xanthine Formula: C9H11BrN4O2 MolecularWeight: 287.11324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1Br)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C9H11BrN4O2/c1-3-4-14-5-6(11-8(14)10)13(2)9(16)12-7(5)15/h3-4H2,1-2H3,(H,12,15,16)