9-butyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 9-butyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 9-butyl-1,3-dimethyl-purine-2,6-dione CAS Name: 9-butyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 9-butyl-1,3-dimethylpurine-2,6-dione Traditional Name: 9-butyl-1,3-dimethyl-xanthine Formula: C11H16N4O2 MolecularWeight: 236.27034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C=NC2=C1N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C11H16N4O2/c1-4-5-6-15-7-12-8-9(15)13(2)11(17)14(3)10(8)16/h7H,4-6H2,1-3H3