caffeine benzoate

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IUPAC Name :benzoic acid;1,3,7-trimethylpurine-2,6-dione
InChI :InChI=1/C8H10N4O2.C7H6O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;8-7(9)6-4-2-1-3-5-6/h4H,1-3H3;1-5H,(H,8,9)
Std.InChI: InChI=1S/C8H10N4O2.C7H6O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;8-7(9)6-4-2-1-3-5-6/h4H,1-3H3;1-5H,(H,8,9)
InChIKey :VXXKVQICUHMECR-UHFFFAOYAX
Std.InChIKey: VXXKVQICUHMECR-UHFFFAOYSA-N
SMILES :O=C(O)c1ccccc1.O=C2N(c1ncn(c1C(=O)N2C)C)C