1-(5-bromanylpentyl)-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-(5-bromanylpentyl)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-(5-bromopentyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(5-bromopentyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(5-bromopentyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(5-bromopentyl)-3,7-dimethyl-xanthine Formula: C12H17BrN4O2 MolecularWeight: 329.19298

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCBr

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCBr

InChI

InChI=1S/C12H17BrN4O2/c1-15-8-14-10-9(15)11(18)17(12(19)16(10)2)7-5-3-4-6-13/h8H,3-7H2,1-2H3