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

Systemtic Name: 8-bromanyl-7-(2-bromoethyl)-3-methyl-purine-2,6-dione Openeye Name: 8-bromo-7-(2-bromoethyl)-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-(2-bromoethyl)-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-(2-bromoethyl)-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-(2-bromoethyl)-3-methyl-xanthine Formula: C8H8Br2N4O2 MolecularWeight: 351.98272

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCBr

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCBr

InChI

InChI=1S/C8H8Br2N4O2/c1-13-5-4(6(15)12-8(13)16)14(3-2-9)7(10)11-5/h2-3H2,1H3,(H,12,15,16)