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

Systemtic Name: 8-bromanyl-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione Openeye Name: 8-bromo-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-(2-methoxyethyl)-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-(2-methoxyethyl)-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-(2-methoxyethyl)-3-methyl-xanthine Formula: C9H11BrN4O3 MolecularWeight: 303.11264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11BrN4O3/c1-13-6-5(7(15)12-9(13)16)14(3-4-17-2)8(10)11-6/h3-4H2,1-2H3,(H,12,15,16)