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

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


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