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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C

InChI

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