3-butyl-1,7-dimethyl-purine-2,6-dione

Systemtic Name: 3-butyl-1,7-dimethyl-purine-2,6-dione Openeye Name: 3-butyl-1,7-dimethyl-purine-2,6-dione CAS Name: 3-butyl-1,7-dimethylpurine-2,6-dione IUPAC Name: 3-butyl-1,7-dimethylpurine-2,6-dione Traditional Name: 3-butyl-1,7-dimethyl-xanthine Formula: C11H16N4O2 MolecularWeight: 236.27034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)C)N(C=N2)C

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)C)N(C=N2)C

InChI

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