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

Systemtic Name: 7-chloranyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-chloro-1,3-dimethyl-purine-2,6-dione CAS Name: 7-chloro-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-chloro-1,3-dimethylpurine-2,6-dione Traditional Name: 7-chloro-1,3-dimethyl-xanthine Formula: C7H7ClN4O2 MolecularWeight: 214.60908

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)Cl

InChI

InChI=1S/C7H7ClN4O2/c1-10-5-4(12(8)3-9-5)6(13)11(2)7(10)14/h3H,1-2H3