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

Systemtic Name: 8-chloranyl-3-ethyl-1,7-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-3-ethyl-1,7-dimethyl-purine-2,6-dione CAS Name: 8-chloro-3-ethyl-1,7-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-3-ethyl-1,7-dimethylpurine-2,6-dione Traditional Name: 8-chloro-3-ethyl-1,7-dimethyl-xanthine Formula: C9H11ClN4O2 MolecularWeight: 242.66224

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)C

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)C

InChI

InChI=1S/C9H11ClN4O2/c1-4-14-6-5(12(2)8(10)11-6)7(15)13(3)9(14)16/h4H2,1-3H3