8-cyclobutyl-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-cyclobutyl-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-cyclobutyl-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-cyclobutyl-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-cyclobutyl-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-cyclobutyl-1,3,7-trimethyl-xanthine Formula: C12H16N4O2 MolecularWeight: 248.28104

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C3CCC3

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C3CCC3

InChI

InChI=1S/C12H16N4O2/c1-14-8-10(13-9(14)7-5-4-6-7)15(2)12(18)16(3)11(8)17/h7H,4-6H2,1-3H3