7-butyl-3,8-dimethyl-purine-2,6-dione

Systemtic Name: 7-butyl-3,8-dimethyl-purine-2,6-dione Openeye Name: 7-butyl-3,8-dimethyl-purine-2,6-dione CAS Name: 7-butyl-3,8-dimethylpurine-2,6-dione IUPAC Name: 7-butyl-3,8-dimethylpurine-2,6-dione Traditional Name: 7-butyl-3,8-dimethyl-xanthine Formula: C11H16N4O2 MolecularWeight: 236.27034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2C)C

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2C)C

InChI

InChI=1S/C11H16N4O2/c1-4-5-6-15-7(2)12-9-8(15)10(16)13-11(17)14(9)3/h4-6H2,1-3H3,(H,13,16,17)