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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1Cl)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCC1=NC2=C(N1Cl)C(=O)N(C(=O)N2C)C

InChI

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