8-bromanyl-7-(2-chloranylpropyl)-3-methyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-7-(2-chloranylpropyl)-3-methyl-purine-2,6-dione Openeye Name: 8-bromo-7-(2-chloropropyl)-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-(2-chloropropyl)-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-(2-chloropropyl)-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-(2-chloropropyl)-3-methyl-xanthine Formula: C9H10BrClN4O2 MolecularWeight: 321.5583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10BrClN4O2/c1-4(11)3-15-5-6(12-8(15)10)14(2)9(17)13-7(5)16/h4H,3H2,1-2H3,(H,13,16,17)