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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)Br)C

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)Br)C

InChI

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