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

Systemtic Name: 8-bromanyl-7-(2-hydroxyethyl)-3-methyl-purine-2,6-dione Openeye Name: 8-bromo-7-(2-hydroxyethyl)-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-(2-hydroxyethyl)-3-methyl-xanthine Formula: C8H9BrN4O3 MolecularWeight: 289.08606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9BrN4O3/c1-12-5-4(6(15)11-8(12)16)13(2-3-14)7(9)10-5/h14H,2-3H2,1H3,(H,11,15,16)