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

Systemtic Name: 1-(6-bromanylhexyl)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-(6-bromohexyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(6-bromohexyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(6-bromohexyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(6-bromohexyl)-3,7-dimethyl-xanthine Formula: C13H19BrN4O2 MolecularWeight: 343.21956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19BrN4O2/c1-16-9-15-11-10(16)12(19)18(13(20)17(11)2)8-6-4-3-5-7-14/h9H,3-8H2,1-2H3