3-butyl-8-chloranyl-1,7-dimethyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-chloranyl-1,7-dimethyl-purine-2,6-dione Openeye Name: 3-butyl-8-chloro-1,7-dimethyl-purine-2,6-dione CAS Name: 3-butyl-8-chloro-1,7-dimethylpurine-2,6-dione IUPAC Name: 3-butyl-8-chloro-1,7-dimethylpurine-2,6-dione Traditional Name: 3-butyl-8-chloro-1,7-dimethyl-xanthine Formula: C11H15ClN4O2 MolecularWeight: 270.7154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15ClN4O2/c1-4-5-6-16-8-7(14(2)10(12)13-8)9(17)15(3)11(16)18/h4-6H2,1-3H3